SCHEMBL6336116

SCHEMBL6336116

CCOc1cc(=O)oc2cc(CBr)ccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ MAOB P27338 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ AR P10275 1/20 0.42
▸ MAOA P21397 1/20 0.42

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
SCHEMBL15842687 0.81 CA12 (0.60) CYP2A6KDM4ECYP1A2ALDH1A1MAOB
SCHEMBL6337378 0.81 CYP2A6 (0.55) CYP2A6KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL11094483 0.79 HSD17B3 (0.63) CYP2A6KDM4ECYP1A2ALDH1A1MAOB
SCHEMBL15842782 0.77 CYP2A6 (0.67) CYP2A6KDM4EALDH1A1MAOBHPGD
SCHEMBL11180486 0.77 CA9 (0.64) KDM4ECYP1A2ALDH1A1MAOBMEN1
SCHEMBL11097757 0.76 MAOB (0.55) KDM4EALDH1A1MAOBMEN1KMT2A
SCHEMBL7762789 0.75 CYP2A6 (0.63) CYP2A6KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL15842498 0.72 KDM4E (0.61) KDM4ECYP1A2ALDH1A1MAOBMEN1
SCHEMBL15842493 0.72 KDM4E (0.73) CYP2A6KDM4ECYP1A2ALDH1A1KMT2A
SCHEMBL9009049 0.70 CA9 (0.62) KDM4ECYP1A2ALDH1A1MAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 — — US disclosed
EP-0050396-B1 COUMARIN INTERMEDIATES BEECHAM GROUP PLC (GB) 1984-12-27 — — EP disclosed
EP-0050097-B1 ALPHA-(PYRIDYL-2-OXY-PHENOXY)-PROPIONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS CIBA-GEIGY AG (CH) 1984-12-05 — — EP disclosed
EP-0010392-B1 HETEROCYCLIC COUMARIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES BEECHAM GROUP PLC (GB) 1982-12-29 — — EP disclosed
EP-0050396-A1 Coumarin intermediates BEECHAM GROUP PLC (GB) 1982-04-28 — — EP disclosed
EP-0050097-A1 Alpha-(pyridyl-2-oxy-phenoxy)-propionic-acid derivatives, process for their preparation and their use as herbicides and/or plant growth regulators CIBA-GEIGY AG (CH) 1982-04-21 — — EP disclosed
US-4263299-A ANTIHISTAMINES, ANTIALLERGENS BEECHAM GROUP LIMITED (GB) 1981-04-21 — — US disclosed
EP-0010392-A1 Heterocyclic coumarin derivatives, their preparation and pharmaceutical compositions comprising said derivatives BEECHAM GROUP PLC (GB) 1980-04-30 — — 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 (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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R CYP2A6 2701/4885KDM4E 2305/4885CYP1A2 1476/4885

“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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