SCHEMBL6640601

SCHEMBL6640601

[CH2]CCc1cc(OC)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ CALM1 P0DP23 4/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ DAO P14920 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ FGFR1 P11362 1/20 0.41

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
SCHEMBL7335766 0.85 CYP19A1 (0.42) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL9491787 0.85 CYP19A1 (0.68) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL402666 0.80 ALDH1A1 (0.58) CYP19A1ALDH1A1CALM1AKR1B1GRIN2D
SCHEMBL5315445 0.79 TAAR1 (0.67) IDO1AGXTTAAR1
SCHEMBL427550 0.78 CYP19A1 (0.55) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL7558508 0.76 CYP19A1 (0.53) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL16453478 0.76 CYP19A1 (0.53) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL153674 0.76 TAAR1 (0.64) CYP19A1ALDH1A1CALM1AKR1B1TSHR
SCHEMBL919408 0.76 AKR1B1 (0.55) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL9830950 0.76 CYP19A1 (0.59) CYP19A1ALDH1A1CALM1AKR1B1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049199-A1 N-linked carbamates and ureas of heterocyclic thioesters GLIAMED, INC. 2002-04-25 — — US claimed
EP-1021423-A1 MACROCYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF$g(a) SECRETION Abbott Laboratories (US) 2000-07-26 — — EP claimed
US-5952320-A USEFUL IN THE TREATMENT OF DISEASES IN WHICH MATRIX METALLOPROTEINASE PLAY A ROLE; MATRIX METALLOPROTEINASE INHIBITING COMPOSITIONS ABBOTT LABORATORIES (US) 1999-09-14 — — US claimed
WO-1998030551-A1 MACROCYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES AND TNFα SECRETION ABBOTT LABORATORIES (US) 1998-07-16 — — WO claimed
EP-0919545-B1 Benzyloxy substituted aromatics and their use as fungicides DOW AGROSCIENCES LLC (US) 2004-05-26 — — EP disclosed
EP-0835865-B1 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2003-03-12 — — EP disclosed
EP-1050528-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC (US) 2003-01-22 — — EP disclosed
EP-1035122-B1 Heterocyclic subsituted isoxazolidines and their use as fungicides DOW AGROSCIENCES LLC (US) 2003-01-22 — — EP disclosed
EP-0811614-B1 Benzyloxy substituted aromatics and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2002-09-25 — — EP disclosed
US-20020049199-A1 N-linked carbamates and ureas of heterocyclic thioesters GLIAMED, INC. 2002-04-25 — — US disclosed
US-6335367-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC 2002-01-01 — — US disclosed
EP-0959882-A4 N-LINKED UREAS AND CARBAMATES OF HETEROCYCLIC THIOESTERS HAMILTON GREGORY S (US) 2001-12-05 — — EP disclosed
CN-1204637-A Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 1999-01-13 — — CN disclosed
EP-0889024-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-01-07 — — EP disclosed
EP-0860438-A1 Fluorine-containing diphenyl acrylamide antimicrobial agents Shenyang Research Institute of Chemical Industry (CN) 1998-08-26 — — EP disclosed
WO-1998029117-A1 N-LINKED UREAS AND CARBAMATES OF HETEROCYCLIC THIOESTERS GUILFORD PHARMACEUTICALS INC. (US) 1998-07-09 — — WO disclosed
EP-0835865-A1 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1998-04-15 — — EP disclosed
EP-0811614-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 — — EP disclosed
EP-0811608-A1 Benzyloxy substituted aromatics containing an acrylyl moiety and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 — — EP disclosed
US-4147869-A ADRENERGIC BLOCKING AGENTS FOR TREATMENT OF ANGINA PECTORIS, ARRHYTHMIA AND HYPERTENSION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1979-04-03 — — 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 (1 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-20020049199-A1 N-linked carbamates and ureas of heterocyclic thioesters FKBP8, FKBP1A, FKBP3 CYP19A1 2934/4885ALDH1A1 3491/4885CALM1 1174/4885

“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.

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