SCHEMBL2974609

SCHEMBL2974609

[CH2]CC1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
CYP19A1 P11511 2/20 0.47
ADRA2A P08913 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
DRD3 P35462 1/20 0.39
PLAU P00749 1/20 0.38
PNMT P11086 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
SCHEMBL2070610 0.84 CYP19A1 (0.54) CYP19A1SIGMAR1PLAU
SCHEMBL17956326 0.80 IDO1 (0.53) IDO1CYP19A1ADRA2ASIGMAR1DRD3
SCHEMBL28138448 0.75 MTNR1A (0.55) IDO1CYP19A1ADRA2A
SCHEMBL29593942 0.74 HTR2A (0.52) IDO1CYP19A1ADRA2APLAU
SCHEMBL29447948 0.74 IDO1 (0.47) IDO1CYP19A1ADRA2ASIGMAR1DRD3
SCHEMBL1800050 0.74 IDO1 (0.47) IDO1CYP19A1ADRA2ASIGMAR1DRD3
SCHEMBL22052056 0.74 IDO1 (0.47) IDO1CYP19A1ADRA2ASIGMAR1DRD3
SCHEMBL835059 0.74 IDO1 (0.47) IDO1CYP19A1ADRA2ASIGMAR1DRD3
SCHEMBL9933773 0.74 IDO1 (0.47) IDO1CYP19A1ADRA2ASIGMAR1DRD3
SCHEMBL714536 0.74 HTR2A (0.52) IDO1CYP19A1ADRA2APLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100358514-C Remedies for allergic eye diseases NIKKEN CHEMICALS CO LTD (JP) 2008-01-02 CN claimed
EP-0994100-B1 3-ANILINO-2-CYCLOALKENONE DERIVATES NIKKEN CHEMICALS CO LTD (JP) 2006-08-30 EP claimed
US-20040220227-A1 Remedies for allergic eye diseases NIKKEN CHEMICALS CO., LTD. (JP) 2004-11-04 US claimed
CN-1525854-A Remedies for allergic eye diseases 日研化学株式会社 2004-09-01 CN claimed
EP-1410795-A1 REMEDIES FOR ALLERGIC EYE DISEASES Nikken Chemicals Company, Limited (JP) 2004-04-21 EP claimed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US claimed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 EP claimed
EP-3050889-B1 ALKYL TIN COMPOUND ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
CN-105579461-B Alkyl tin compound 旭化成株式会社 2020-02-14 CN disclosed
US-9844775-B2 Alkyl tin compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-12-19 US disclosed
US-20160228863-A1 Alkyl Tin Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-11 US disclosed
EP-3050889-A1 ALKYL TIN COMPOUND Asahi Kasei Chemicals Corporation (JP) 2016-08-03 EP disclosed
CN-101014576-B Aryl spirolactam cgrp receptor antagonists MERCK & CO INC 2011-05-25 CN disclosed
US-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 EP disclosed
US-6051718-A A PHOSPHODIESTERASE ENZYME INHIBITOR AND A CYTOKINE ANTAGONIST FOR TREATING ALLERGIC, ATOPIC AND INFLAMMATORY DISEASES INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-04-18 US disclosed
EP-0934280-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-08-11 EP disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed
WO-1998014432-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-09 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 (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-20040220227-A1 Remedies for allergic eye diseases HRH2, HRH1, HRH4 IDO1 217/4885CYP19A1 473/4885ADRA2A 463/4885
US-20160228863-A1 Alkyl Tin Compound TERT, MYC, ABL1 IDO1 2185/4885CYP19A1 2133/4885ADRA2A 3962/4885

“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.