SCHEMBL6980988

SCHEMBL6980988

N#Cc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.68
APP P05067 1/20 0.62
CYP19A1 P11511 1/20 0.59
RAB9A P51151 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
NR4A2 P43354 1/20 0.56
MAOA P21397 3/20 0.54
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
POLB P06746 1/20 0.52
ADRB2 P07550 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL29741480 0.90 MAOB (0.81) MAOBAPPCYP19A1RAB9AHRH3
SCHEMBL18664184 0.90 MAOB (0.81) MAOBAPPCYP19A1RAB9AHRH3
SCHEMBL10991891 0.86 MAOB (0.80) MAOBAPPRAB9ANR4A2MAOA
SCHEMBL11122145 0.85 MAOB (0.56) MAOBAPPCYP19A1RAB9AMAOA
SCHEMBL16841039 0.85 MAOB (0.72) MAOBAPPCYP19A1RAB9AHRH3
SCHEMBL28999638 0.82 NR4A2 (0.58) MAOBAPPRAB9ANR4A2MAOA
SCHEMBL15038105 0.81 MAOB (0.68) MAOBAPPRAB9AHRH3MAOA
SCHEMBL16604318 0.81 MAOB (0.68) MAOBCYP19A1RAB9AHRH3MAOA
SCHEMBL2276512 0.81 MAOB (0.68) MAOBAPPCYP19A1RAB9AHRH3
SCHEMBL994803 0.81 MAOB (0.68) MAOBAPPRAB9AHRH3NR4A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028305-B1 DIARYL COMPOUNDS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-01 EP claimed
EP-0028305-A1 Diaryl compounds and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-05-13 EP claimed
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2019-05-30 US disclosed
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 US disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 US disclosed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US disclosed
EP-0028305-B1 DIARYL COMPOUNDS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-01 EP disclosed
EP-0028305-A1 Diaryl compounds and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-05-13 EP 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-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 MAOB 2329/4885APP 4609/4885CYP19A1 3007/4885
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 MAOB 2329/4885APP 4609/4885CYP19A1 3007/4885

“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.