SCHEMBL118556

SCHEMBL118556

Oc1cccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
AOC3 Q16853 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
GSK3B P49841 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
AURKA O14965 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
EED O75530 1/20 0.38
MAOB P27338 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL11725972 0.84 KDM4C (0.47) AOC3KDM4CCDK2MAOBPOLB
SCHEMBL28799249 0.82 ABCG2 (0.46) ABCG2AOC3KDM4CGSK3BAURKA
SCHEMBL30575803 0.82 ABCG2 (0.46) ABCG2AOC3KDM4CGSK3BAURKA
SCHEMBL461998 0.82 ITGB2 (0.50) CHRNB4CHRNA3KDM4ELMNAGAA
SCHEMBL13517569 0.79 ABCG2 (0.52) ABCG2KDM4CCYP3A4CDK2PKM
SCHEMBL9534791 0.78 KDM4E (0.42) CHRNB4CHRNA3PKMMAOBKDM4E
SCHEMBL9535019 0.78 KDM4E (0.42) CHRNB4CHRNA3MAOBKDM4ELMNA
SCHEMBL7594061 0.76 ABCG2 (0.55) ABCG2GSK3BPKMTSHREED
SCHEMBL14950291 0.75 AOC3 (0.44) ABCG2AOC3KDM4CCYP3A4PKM
SCHEMBL2265157 0.75 AOC3 (0.44) ABCG2AOC3KDM4CCYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020534-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-02-23 WO claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170100337-A1 Naltrexone hydrochloride compositions PURDUE PHARMA LP (US) 2017-04-13 US claimed
US-20160317456-A1 PHARMACEUTICAL COMPOSITIONS PURDUE PHARMA LP (US) 2016-11-03 US claimed
EP-1482912-B1 NALTREXONE HYDROCHLORIDE COMPOSITIONS EURO CELTIQUE SA (LU) 2011-05-25 EP claimed
US-7771734-B2 Process to color and permanently restructure hair WELLA AG (DE) 2010-08-10 US claimed
EP-1655056-B1 Process to colour and permanently restructure hair WELLA AG (DE) 2008-07-02 EP claimed
US-7273058-B2 Dividing hair into individual strands and winding on curlers; prior to application on hair, mixing shaping component with dye component having keratin-reducing agent and 4,5-diaminopyrazole and/or aminophenol derivative(s); fixing, rinsing WELLA AG (DE) 2007-09-25 US claimed
US-7241892-B1 Hemisynthetic method and new compounds PHARMA MAR, S.A. (ES) 2007-07-10 US claimed
US-20060096042-A1 Process to color and permanently restructure hair HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-05-11 US claimed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 WO claimed
WO-2002006207-A2 NOVEL COUPLING COMPONENTS FOR OXIDATION COLOURING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-01-24 WO claimed
EP-1028694-A1 APPLICATION OF INDANONES FOR DYING FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-08-23 EP claimed
WO-2000038634-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
EP-0880352-B1 STABILIZATION OF NALOXONE HYDROCHLORIDE GOEDECKE AG (DE) 1999-11-17 EP claimed
WO-1999018914-A2 APPLICATION OF INDANONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 WO claimed
US-5084067-A Indoaniline dyes for hair dyes L'OREAL (FR) 1992-01-28 US claimed
EP-0400330-A1 Oxidation hair dyes Wella Aktiengesellschaft (DE) 1990-12-05 EP claimed
EP-0287828-A1 Intermediates and their preparation Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1988-10-26 EP claimed
EP-0095454-A2 Nuclens-substituted pyrogallol derivatives Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) 1983-11-30 EP claimed

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

For each of this compound's patents that has machine-readable text (1 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-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR ABCG2 1774/4885AOC3 2038/4885KDM4C 3177/4885

“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.