SCHEMBL2844035

SCHEMBL2844035

[c]1cccc2c3c(ccc12)CCCC3

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
TSHR P16473 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CES1 P23141 2/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL11199730 0.76 TSHR (0.39) KIF11BCL2L1BADTSHRCA1
SCHEMBL2411016 0.72 CYP1A2 (0.32)
SCHEMBL15794602 0.69 KIF11 (0.33) KIF11BCL2L1BAD
SCHEMBL550023 0.69 BCL2L1 (0.36) KIF11BCL2L1BADTSHRNOS3
SCHEMBL29853815 0.68 KIF11 (0.49) KIF11BCL2L1BADTSHR
SCHEMBL322439 0.68 KIF11 (0.49) KIF11BCL2L1BADTSHR
SCHEMBL2412656 0.68 HPRT1 (0.33)
SCHEMBL1278375 0.67 BCL2L1 (0.52) KIF11BCL2L1BADTSHRNOS3
SCHEMBL28753848 0.67 KIF11 (0.47) KIF11BCL2L1BADTSHR
SCHEMBL285402 0.67 CA1 (0.40) CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US claimed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US claimed
EP-3749631-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-16 EP claimed
CN-111712481-A Triarylmethane compounds 三菱瓦斯化学株式会社 2020-09-25 CN claimed
WO-2019154727-A1 TRIARYLMETHANE COMPOUNDS REUTER CHEMISCHE APPARATEBAU KG (DE) 2019-08-15 WO claimed
WO-2019154730-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-08-15 WO claimed
EP-4399199-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Reuter Chemische Apparatebau e.K. (DE) 2024-07-17 EP disclosed
EP-4399200-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Mitsubishi Gas Chemical Company, Inc. (JP) 2024-07-17 EP disclosed
WO-2024115460-A1 BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-06-06 WO disclosed
CN-118043298-A (Hetero) aryl-substituted bisphenol compound and thermoplastic resin 罗伊特化学仪器制造公司 2024-05-14 CN disclosed
CN-117940399-A Heteroaryl or aryl substituted bisphenol compounds and thermoplastic resins 三菱瓦斯化学株式会社 2024-04-26 CN disclosed
WO-2024068860-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-04-04 WO disclosed
US-11931445-B2 Composition comprising baicalin L'OREAL (FR) 2024-03-19 US disclosed
US-8389549-B2 Substituted pyridines useful for treating pain PURDUE PHARMA L.P. (US) 2013-03-05 US disclosed
EP-2479173-A1 Therapeutic agents useful for treating pain Purdue Pharma LP (US) 2012-07-25 EP disclosed
WO-2012085648-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS PURDUE PHARMA L.P. 2010-06-03 US disclosed
US-20100130552-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. 2010-05-27 US disclosed
EP-2091936-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN Purdue Pharma LP (US) 2009-08-26 EP disclosed
WO-2008133973-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (DE) 2008-11-06 WO 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-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 KIF11 4078/4885BCL2L1 4110/4885BAD 4206/4885
US-20100130552-A1 Therapeutic Agents Useful for Treating Pain ARRB1, OPRK1, OPRD1 KIF11 4425/4885BCL2L1 2262/4885BAD 2631/4885
US-11931445-B2 Composition comprising baicalin KRT18, S100A6, DSG1 KIF11 1023/4885BCL2L1 1005/4885BAD 2707/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 KIF11 4078/4885BCL2L1 4110/4885BAD 4206/4885
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS TRPV1, TRPA1, TRPV2 KIF11 4629/4885BCL2L1 3205/4885BAD 659/4885

“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.