SCHEMBL1903555

SCHEMBL1903555

C(=Cc1ccccc1)CCN1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.77
LTA4H P09960 2/20 0.55
HSP90AA1 P07900 1/20 0.54
HRH3 Q9Y5N1 2/20 0.49
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9779114 0.98 SIGMAR1 (0.75) SIGMAR1LTA4HHSP90AA1HRH3SLC6A3
SCHEMBL22305179 0.92 SIGMAR1 (0.89) SIGMAR1LTA4HHRH3SLC6A3TDP1
SCHEMBL10801224 0.92 SIGMAR1 (0.89) SIGMAR1LTA4HHRH3SLC6A3TDP1
SCHEMBL7996234 0.89 SIGMAR1 (0.63) SIGMAR1LTA4HHSP90AA1HRH3SLC6A3
SCHEMBL8091680 0.87 SIGMAR1 (1.00) SIGMAR1HRH3SLC6A3TDP1MAPK1
SCHEMBL8084554 0.87 SIGMAR1 (1.00) SIGMAR1HRH3SLC6A3TDP1MAPK1
SCHEMBL8084551 0.87 SIGMAR1 (1.00) SIGMAR1HRH3SLC6A3TDP1MAPK1
SCHEMBL22305183 0.84 SIGMAR1 (0.71) SIGMAR1LTA4HHSP90AA1HRH3SLC6A3
SCHEMBL9779468 0.84 SIGMAR1 (0.71) SIGMAR1HSP90AA1
SCHEMBL28515723 0.81 SLC6A3 (0.52) SIGMAR1LTA4HHSP90AA1HRH3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542557-B Conjugated diene rubber 日本瑞翁株式会社 2023-03-28 CN claimed
US-20100116404-A1 TIRE WITH COMPONENT CONTAINING POLYKETONE SHORT FIBER AND FUNCTIONALIZED ELASTOMER LECHTENBOEHMER ANNETTE 2010-05-13 US claimed
EP-4159475-B1 RUBBER COMPOSITION FOR TIRE, AND TIRE YOKOHAMA RUBBER CO LTD (JP) 2025-05-21 EP disclosed
EP-4159476-B1 TIRE RUBBER COMPOSITION AND TIRE YOKOHAMA RUBBER CO LTD (JP) 2025-05-14 EP disclosed
EP-3696211-B1 MODIFIED CONJUGATED DIENE RUBBER ZEON CORP (JP) 2025-02-19 EP disclosed
CN-118055862-A Silica reinforced rubber compositions and articles made therefrom 迈图高新材料公司 2024-05-17 CN disclosed
EP-4039504-B1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER IND (JP) 2023-10-25 EP disclosed
EP-4159476-A1 TIRE RUBBER COMPOSITION AND TIRE The Yokohama Rubber Co., Ltd. (JP) 2023-04-05 EP disclosed
EP-4159475-A1 RUBBER COMPOSITION FOR TIRE, AND TIRE The Yokohama Rubber Co., Ltd. (JP) 2023-04-05 EP disclosed
CN-111542557-B Conjugated diene rubber 日本瑞翁株式会社 2023-03-28 CN disclosed
CN-115698172-A Rubber composition for tire and tire 横滨橡胶株式会社 2023-02-03 CN disclosed
US-20040122224-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-20040122194-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-6753447-B2 REACTING SECONDARY AMINE WITH 2,3- DIHALOPROPENE TO PRODUCE A VINYL HALIDE CONTAINING CYCLIC TERTIARY AMINE; REACTING WITH VINYL MAGNESIUM HALIDE IN POLAR SOLVENT THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-22 US disclosed
US-20040116635-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-06-17 US disclosed
US-20040063884-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-04-01 US disclosed
US-20040048972-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-11 US disclosed
US-20040044202-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-03-04 US disclosed
US-20040044157-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-04 US disclosed
US-6693160-B1 FREE RADICAL COPOLYMERS OF CONJUGATED DIOLEFIN AND NITROGEN HETEROCYCLE FUNCTIONALIZED MONOMERS; LOW HYSTERESIS; FILLER COMPATIBILITY THE GOODYEAR TIRE & RUBBER COMPANY 2004-02-17 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 (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-20040044202-A1 Functionalized monomers for synthesis of rubbery polymers PRMT1, DDR2, DNMT3A SIGMAR1 1076/4885LTA4H 2157/4885HSP90AA1 3682/4885
US-20040063884-A1 Functionalized monomers for synthesis of rubbery polymers RDX, DPY30, RIF1 SIGMAR1 2041/4885LTA4H 2816/4885HSP90AA1 2256/4885
US-20040122224-A1 Functionalized monomers for synthesis of rubbery polymers PRMT1, DDR2, DNMT3A SIGMAR1 1076/4885LTA4H 2157/4885HSP90AA1 3682/4885

“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.