SCHEMBL6370544

SCHEMBL6370544

COc1cc(C)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
ACHE P22303 3/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPT P10636 3/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ALOX15 P16050 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL278798 0.85 ALDH1A1 (0.61) ALDH1A1CA2CA1POLBCYP3A4
SCHEMBL3807248 0.85 ALDH1A1 (0.53) ALDH1A1CA2CA1POLBCYP3A4
SCHEMBL25485530 0.81 ALDH1A1 (0.44) ALDH1A1CA2CA1ACHEPTPN1
SCHEMBL26740701 0.80 TACR1 (0.36) CA2CA1PTPN1GABRA1GABRB2
SCHEMBL4083993 0.80 POLB (0.37) ALDH1A1CA2POLBCYP3A4TSHR
SCHEMBL25785390 0.80 ALDH1A1 (0.48) ALDH1A1CA2CA1ACHEPTPN1
SCHEMBL257565 0.80 RXRA (0.43) ALDH1A1ACHEPTPN1CYP3A4RXRA
SCHEMBL17694481 0.79 CNR2 (0.44) ALDH1A1CA2CA1ACHEPTPN1
SCHEMBL5546107 0.79 CYP1A1 (0.46) ALDH1A1CA2CA1CYP3A4RXRA
SCHEMBL29585476 0.79 CYP1A1 (0.46) ALDH1A1CA2CA1CYP3A4RXRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-20230263773-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2023-08-24 US disclosed
US-20230263773-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2023-08-24 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
US-8236829-B2 Bicyclic derivatives as modulators of voltage gated ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-12 US disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 ALDH1A1 3004/4885CA2 3807/4885CA1 4618/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 344/4885CA2 4082/4885CA1 4510/4885
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity ALOX12, ALOX15B, ALOX5 ALDH1A1 558/4885CA2 2843/4885CA1 4195/4885
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 ALDH1A1 3195/4885CA2 401/4885CA1 1980/4885
US-20230263773-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS TYMP, DUT, TYMS ALDH1A1 1671/4885CA2 2112/4885CA1 1956/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ALDH1A1 252/4885CA2 3102/4885CA1 2588/4885
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents MKI67, TYMP, PCNA ALDH1A1 1105/4885CA2 4354/4885CA1 4873/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D ALDH1A1 3507/4885CA2 289/4885CA1 1181/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ALDH1A1 472/4885CA2 2654/4885CA1 2357/4885
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels TRPV1, TRPV2, TRPV3 ALDH1A1 3195/4885CA2 401/4885CA1 1980/4885
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF NXF1, NCOA1, XPO1 ALDH1A1 3921/4885CA2 3911/4885CA1 4684/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR ALDH1A1 4698/4885CA2 4026/4885CA1 4689/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 450/4885CA2 2632/4885CA1 2284/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885CA2 4029/4885CA1 4396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.