SCHEMBL6841859

SCHEMBL6841859

Cc1cc(C)c(Cl)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ HSD17B10 Q99714 5/20 0.48
▸ CYP3A4 P08684 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ALOX15 P16050 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ G6PD P11413 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CCR6 P51684 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CD44 P16070 1/20 0.46

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
SCHEMBL4062679 0.89 LMNA (0.58) LMNAHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL8351711 0.86 HSD17B10 (0.55) LMNAHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL2662863 0.86 LMNA (0.60) LMNAHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL6853371 0.83 HSD17B10 (0.60) LMNAHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL8459523 0.83 TSHR (0.60) LMNAHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL47929 0.78 ALDH1A1 (0.61) HSD17B10CYP3A4ALDH1A1HPGDALOX15
SCHEMBL8261003 0.78 CD44 (0.58) LMNAHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL4853924 0.78 HSD17B10 (0.60) LMNAHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL13855825 0.78 HSD17B10 (0.52) LMNAHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL23239701 0.77 HSD17B10 (0.42) LMNAHSD17B10CYP3A4ALDH1A1HPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022212296-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2022-10-06 — — WO disclosed
WO-2022076285-A1 LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2022-04-14 — — WO disclosed
WO-2021071802-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 — — WO disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 — — EP disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 — — US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — US disclosed
WO-2015029068-A1 ARYL NAPHTHYL METHANONE OXIME(S) AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-05 — — WO disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 — — US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 — — US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 — — US disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 — — WO disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 — — WO disclosed
US-4487975-A Etherification of phenols RHONE-POULENC INDUSTRIES (FR) 1984-12-11 — — US disclosed
US-4287125-A Preparation of benzenoid ethers and thioethers RHONE-POULENC INDUSTRIES (FR) 1981-09-01 — — 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 (4 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP LMNA 3100/4885HSD17B10 913/4885CYP3A4 764/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP LMNA 3100/4885HSD17B10 913/4885CYP3A4 764/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS LMNA 3439/4885HSD17B10 3815/4885CYP3A4 4548/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS LMNA 3439/4885HSD17B10 3815/4885CYP3A4 4548/4885

“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.

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