SCHEMBL432244

SCHEMBL432244

CCCCc1ccc2ccc3ccc(CCCC)nc3c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.54
KCNH2 Q12809 1/20 0.52
NOS2 P35228 1/20 0.41
PDE10A Q9Y233 1/20 0.40
RAB9A P51151 1/20 0.37
CCR5 P51681 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PARP1 P09874 1/20 0.36
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
MCHR1 Q99705 2/20 0.35
LTB4R Q15722 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
IDO1 P14902 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL30285975 1.00 CCR1 (0.54) CCR1KCNH2NOS2PDE10ARAB9A
SCHEMBL30459407 1.00 CCR1 (0.54) CCR1KCNH2NOS2PDE10ARAB9A
SCHEMBL10338656 0.98 KCNH2 (0.55) CCR1KCNH2NOS2PDE10ARAB9A
SCHEMBL22200840 0.96 CCR1 (0.50) CCR1KCNH2NOS2PDE10ARAB9A
SCHEMBL30459461 0.93 KCNH2 (0.61) CCR1KCNH2NOS2PDE10AESR1
SCHEMBL29028490 0.93 KCNH2 (0.61) CCR1KCNH2NOS2PDE10AESR1
SCHEMBL25438253 0.91 KCNH2 (0.59) CCR1KCNH2NOS2PDE10AESR1
SCHEMBL31026592 0.91 KCNH2 (0.64) CCR1KCNH2ESR1LTB4R
SCHEMBL10531797 0.91 KCNH2 (0.64) CCR1KCNH2ESR1LTB4R
SCHEMBL10511946 0.91 KCNH2 (0.64) CCR1KCNH2ESR1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105374949-A Organic light-emitting device and preparation method thereof UNIV ELECTRONIC SCIENCE & TECH CHINA 2016-03-02 CN claimed
CN-104003828-B The preparation method of copper complex catalytic amine and aromatic nitriles linked reaction under visible light TIANJIN NORMAL UNIVERSITY (CN) 2015-08-19 CN claimed
US-20150125550-A1 APPLICATION OF 2,9-DI-SEC-BUTYL-1,10-PHENANTHROLINE AS A GLIOBLASTOMA TUMOR CHEMOTHERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-05-07 US claimed
US-7238832-B2 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-03 US claimed
EP-1449580-B1 Production method of a cross-coupling compound from an alkyl halide and an organoboron compound SUMITOMO CHEMICAL CO (JP) 2005-12-28 EP claimed
US-20040167364-A1 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US claimed
EP-1449580-A1 Production method of a cross-coupling compound from an alkyl halide and an organoboron compound Sumitomo Chemical Co.,Ltd. (JP) 2004-08-25 EP claimed
EP-0853064-B1 Process for the synthesis of hydrogen peroxide ENICHEM SPA (IT) 2000-02-23 EP claimed
EP-0808796-B1 Process for the preparation of hydrogen peroxide ENICHEM SPA (IT) 2000-02-09 EP claimed
EP-0894783-A1 Process for the synthesis of phenol from benzene Enichem S.p.A. (IT) 1999-02-03 EP claimed
US-5783164-A PALLADIUM CATALYST WITH A NITROGENATED LIGAND STABLE TO OXIDATION ENICHEM S.P.A. (IT) 1998-07-21 US claimed
EP-0853064-A1 Process for the synthesis of hydrogen peroxide ENICHEM S.p.A. (IT) 1998-07-15 EP claimed
EP-0808796-A1 Process for the preparation of hydrogen peroxide ENICHEM S.p.A. (IT) 1997-11-26 EP claimed
EP-0628805-B1 Luminescent optical indicator for measuring the activity of alkali metal ions in a sample solution AVL MEDICAL INSTR AG (CH) 1996-09-18 EP claimed
US-5464587-A In blood AVL MEDICAL INSTRUMENTS AG (CH) 1995-11-07 US claimed
EP-0628805-A1 Luminescent optical indicator for measuring the activity of alkali metal ions in a sample solution AVL Medical Instruments AG (CH) 1994-12-14 EP claimed
US-4861455-A Electrode membrane JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1989-08-29 US claimed
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 US disclosed
US-4861455-A Electrode membrane JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1989-08-29 US disclosed
US-4853090-A Lithium ion-selective compositions, electrodes and a method of use EASTMAN KODAK COMPANY (US) 1989-08-01 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 (2 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-20040167364-A1 Production method of a coupling compound PYM1, BRIX1, CXCR1 CCR1 94/4885KCNH2 362/4885NOS2 391/4885
US-20150125550-A1 APPLICATION OF 2,9-DI-SEC-BUTYL-1,10-PHENANTHROLINE AS A GLIOBLASTOMA TUMOR CHEMOTHERAPY TOE1, SCLY, SUB1 CCR1 3808/4885KCNH2 3099/4885NOS2 3247/4885

“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.