SCHEMBL91157

SCHEMBL91157

CCc1csc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.67
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CHRNA7 P36544 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 1/20 0.48
IDO1 P14902 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
Dimethylamine SCHEMBL6377759 0.94 CYP2A6 (0.60) CYP2A6CA1CA2ALDH1A1CHRNA7
Methane SCHEMBL2790892 0.86 CYP2A6 (0.56) CYP2A6CA1CA2ALDH1A1CHRNA7
SCHEMBL91191 0.83 CYP2A6 (0.62) CYP2A6CA1CA2ALDH1A1CHRNA7
SCHEMBL16398945 0.83 CYP2A6 (0.67) CYP2A6CA1CA2ALDH1A1CHRNA7
SCHEMBL3789614 0.80 CYP2A6 (0.58) CYP2A6CA1CA2ALDH1A1CHRNA7
SCHEMBL2248829 0.80 CYP2A6 (1.00) CYP2A6CA1CA2ALDH1A1CHRNA7
SCHEMBL13338100 0.80 CYP2A6 (0.58) CYP2A6CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL1273504 0.79 CYP2A6 (0.56) CYP2A6CA1CA2ALDH1A1CHRNA7
SCHEMBL22917119 0.79 CYP2A6 (0.56) CYP2A6CA1CA2ALDH1A1CHRNA7
SCHEMBL368354 0.79 CYP2A6 (0.56) CYP2A6CA1CA2ALDH1A1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107255628-A A kind of formaldehyde testing reagent 湖南师范大学 2017-10-17 CN claimed
CN-107159301-A A kind of base supported mimetic enzyme catalyst of zeolite and its preparation method and application 复旦大学 2017-09-15 CN claimed
CN-103073522-B Synthesis method of 2,2' -biazoyl-di (3-ethyl-benzothiazole-6-sulfonic acid) diammonium salt 江西师范大学 2017-06-06 CN claimed
WO-2006056595-A1 KEROSENE COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-06-01 WO claimed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20230140238-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-05-04 US disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
WO-2001053432-A1 SULFUR REMOVAL PROCESS BP CORPORATION NORTH AMERICA INC. (US) 2001-07-26 WO disclosed
EP-1029024-A1 MULTIPLE STAGE SULFUR REMOVAL PROCESS BP Corporation North America Inc. (US) 2000-08-23 EP disclosed
EP-1029025-A2 SULFUR REMOVAL PROCESS BP Amoco Corporation (US) 2000-08-23 EP disclosed
US-6059962-A FOR HYDROCARBON FEEDSTOCK; ALKYLATION, DISTILLATION BP AMOCO CORPORATION (US) 2000-05-09 US disclosed
WO-2000014182-A2 SULFUR REMOVAL PROCESS BP AMOCO CORPORATION (US) 2000-03-16 WO disclosed
WO-2000014181-A1 MULTIPLE STAGE SULFUR REMOVAL PROCESS BP AMOCO CORPORATION (US) 2000-03-16 WO disclosed
US-6024865-A Sulfur removal process BP AMOCO CORPORATION (US) 2000-02-15 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP 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 (5 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-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R CYP2A6 873/4885CA1 4812/4885CA2 4351/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP2A6 2270/4885CA1 1664/4885CA2 2888/4885
US-20230140238-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 CYP2A6 1619/4885CA1 4151/4885CA2 2999/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 CYP2A6 4263/4885CA1 4224/4885CA2 3320/4885
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids ERG28, UGCG, DPM1 CYP2A6 3878/4885CA1 4166/4885CA2 2269/4885

“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.