SCHEMBL94532

SCHEMBL94532

CN1CCc2c(O)cccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
KDR P35968 1/20 0.40
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
NOTUM Q6P988 3/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR1A P08908 3/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL13911374 0.89 BCL2L1 (0.46) DRD2DRD1DRD5DRD3RET
SCHEMBL24873677 0.78 NOTUM (0.38) NOTUMMGLL
SCHEMBL13462411 0.78 S1PR1 (0.37) NOTUMMGLL
SCHEMBL256749 0.78 NOTUM (0.56) DRD2NOTUMSLC6A2SLC6A4SLC6A3
SCHEMBL16720228 0.77 S1PR1 (0.34) DRD2DRD1DRD5DRD3RET
SCHEMBL2625772 0.76 NOTUM (0.57) DRD2DRD3NOTUM
SCHEMBL25044260 0.76 KDM4E (0.35) DRD2DRD3NOTUMMGLL
SCHEMBL2484100 0.76 ADRA2C (0.44) NOTUMSLC6A2SLC6A4SLC6A3MGLL
SCHEMBL2625776 0.76 NOTUM (0.57) NOTUM
SCHEMBL25124822 0.76 AKT1 (0.37) DRD2DRD1DRD5DRD3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585128-A Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2021-03-30 CN claimed
US-6723136-B2 PRECURSOR OF AROMATIC RINGS HAVING HYDROXYL GROUPS ON ADJACENT CARBON ATOMS, AND OXIDATION BASE OF PARA OR ORTHO AROMATIC AMINES, AND A CATALYTIC SYSTEM OF SALTS AND OXIDES OF MANGANESE AND ZINC L'OREAL (FR) 2004-04-20 US claimed
US-20020124330-A1 Coloration composition, process for obtaining the same and its use for the coloration of keratin fibres L'OREAL (FR) 2002-09-12 US claimed
EP-3113753-B2 AQUEOUS OXIDIZING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2026-03-18 EP disclosed
CN-112585128-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 CN disclosed
EP-3113753-B1 AQUEOUS OXIDIZING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2021-06-16 EP disclosed
EP-3113748-B1 PROCESS FOR MANUFACTURING AN EMULSION KAO GERMANY GMBH (DE) 2021-05-12 EP disclosed
CN-112585128-A Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2021-03-30 CN disclosed
WO-2020156162-A1 MEK INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2020-08-06 WO disclosed
CN-111148744-A Novel heterocyclic compounds as MGLUR7 modulators 布拉格玛治疗公司 2020-05-12 CN disclosed
EP-3113847-B1 ANHYDROUS DYEING COMPOSITION AND PROCESS FOR DYEING HAIR KAO GERMANY GMBH (DE) 2019-11-20 EP disclosed
EP-1627666-A1 Composition for dyeing keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2006-02-22 EP disclosed
US-20050257331-A1 Composition for dyeing of keratin fibres KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US disclosed
US-20050257334-A1 Composition for dyeing keratin fibers KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US disclosed
EP-1598052-A1 Composition for bleaching and dyeing keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-23 EP disclosed
EP-1559403-A1 Composition for dyeing human hair KPSS-Kao Professional Salon Services GmbH (DE) 2005-08-03 EP disclosed
US-6002018-A N-substituted 4-hydroxyindoline derivatives L'OREAL (FR) 1999-12-14 US disclosed
US-5755829-A HAIR DYES USING HYDROXYINDOLE COUPLERS AND OXIDATION BASES L'OREAL (FR) 1998-05-26 US disclosed
EP-0780118-B1 Compositions for dyeing keratinous fibers containing N-substituted 4-hydroxy indoline derivatives, and certain of these derivatives OREAL (FR) 1997-12-29 EP disclosed
EP-0780118-A1 Compositions for dyeing keratinous fibers containing N-substituted 4-hydroxy indoline derivatives, and certain of these derivatives L'OREAL (FR) 1997-06-25 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 (3 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-20050257331-A1 Composition for dyeing of keratin fibres KRT18, KCNH3, MT-CO3 DRD2 1549/4885DRD1 1416/4885DRD5 340/4885
US-20020124330-A1 Coloration composition, process for obtaining the same and its use for the coloration of keratin fibres KRT18, TYR, OAT DRD2 4569/4885DRD1 4591/4885DRD5 4521/4885
US-20050257334-A1 Composition for dyeing keratin fibers KRT18, H1-5, CYB5R3 DRD2 1548/4885DRD1 1200/4885DRD5 198/4885

“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.