SCHEMBL145977

SCHEMBL145977

c1ccc2c(c1)CCCC2C1CCCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
SIGMAR1 Q99720 3/20 0.50
TSHR P16473 1/20 0.48
ADRA2A P08913 2/20 0.46
ADRA1A P35348 2/20 0.46
LMNA P02545 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR1A P08908 1/20 0.46
OPRM1 P35372 1/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL29357487 1.00 IDO1 (0.57) IDO1SIGMAR1TSHRADRA2AADRA1A
SCHEMBL6784204 0.96 IDO1 (0.53) IDO1SIGMAR1
SCHEMBL18440245 0.89 SIGMAR1 (0.54) IDO1SIGMAR1LMNA
SCHEMBL6542312 0.87 SIGMAR1 (0.56) IDO1SIGMAR1
SCHEMBL10785005 0.87 SIGMAR1 (0.60) IDO1SIGMAR1
SCHEMBL4661810 0.86 SIGMAR1 (0.63) IDO1SIGMAR1
SCHEMBL21924071 0.86 SIGMAR1 (0.63) IDO1SIGMAR1
SCHEMBL6542145 0.86 SIGMAR1 (0.63) IDO1SIGMAR1
SCHEMBL30285859 0.86 SIGMAR1 (0.63) IDO1SIGMAR1
SCHEMBL11671198 0.85 SRD5A1 (0.55) IDO1SIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
JP-6122644-A None JP disclosed
JP-61004796-A None JP disclosed
JP-10059900-A None JP disclosed
US-11655368-B2 Condensation curable composition comprising siloxane-imide crosslinker MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2023-05-23 US disclosed
EP-3484842-B1 HALOGEN-CONTAINING METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2023-05-03 EP disclosed
US-11020730-B2 Halogen-containing metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-01 US disclosed
US-20190314799-A1 HALOGEN-CONTAINING METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-17 US disclosed
EP-3484842-A1 HALOGEN-CONTAINING METATHESIS CATALYSTS AND METHODS THEREOF Massachusetts Institute of Technology (US) 2019-05-22 EP disclosed
WO-2018013943-A1 HALOGEN-CONTAINING METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-18 WO disclosed
EP-0614902-B1 Phosphine compounds and transition metal-phosphine complexes containing them as ligands TAKASAGO PERFUMERY CO LTD (JP) 1997-06-11 EP disclosed
US-5530150-A HAVING PHOSPHINE AND PHOSPHITE GROUPS IN SAME MOLECULE; CATALYST SELECTIVITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-06-25 US disclosed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 WO disclosed
EP-0479542-B1 A phosphino binaphthyl compound and transition metal complexes thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-11-29 EP disclosed
EP-0614902-A1 Phosphine compounds and transition metal-phosphine complexes containing them as ligands Takasago International Corporation (JP) 1994-09-14 EP disclosed
JP-H06122644-A BI@(3754/24)TETRAHYDRONAPHTHYL) DERIVATIVE AND ITS PRODUCTION KANKYO KAGAKU CENTER:KK 1994-05-06 JP disclosed
US-5206399-A 2,2'-BIS(DIPHENYLPHOSPHINO)-5,5',6,6',7,7',8,8'-OCTAHYDRO-1,1'-BINAPHTHYL AND TRANSITION METAL COMPLEX CONTAINING THE SAME AS LIGAND TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-04-27 US disclosed
EP-0479542-A1 A phosphino binaphthyl compound and transition metal complexes thereof Takasago International Corporation (JP) 1992-04-08 EP disclosed
JP-S614796-A PRODUCTION OF SYNTHETIC LUBRICATING OIL IDEMITSU KOSAN CO LTD 1986-01-10 JP disclosed
US-4521324-A Fluid for traction drive IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-06-04 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-20190314799-A1 HALOGEN-CONTAINING METATHESIS CATALYSTS AND METHODS THEREOF ZRANB2, SLC39A3, ZCCHC8 IDO1 1928/4885SIGMAR1 1944/4885TSHR 2418/4885
US-11020730-B2 Halogen-containing metathesis catalysts and methods thereof ZRANB2, SLC39A3, ZCCHC8 IDO1 1928/4885SIGMAR1 1944/4885TSHR 2418/4885

“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.