SCHEMBL6337378

SCHEMBL6337378

CCOc1cc(=O)oc2cc(C)ccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.55
▸ KDM4E B2RXH2 4/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HPGD P15428 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44

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 0.84 CA12 (0.60) CYP2A6KDM4ECYP1A2ALDH1A1HPGD
SCHEMBL11094483 0.83 HSD17B3 (0.63) CYP2A6KDM4ECYP1A2ALDH1A1MAPT
SCHEMBL23332346 0.82 ALDH1A1 (0.61) CYP2A6KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL15842782 0.81 CYP2A6 (0.67) CYP2A6KDM4EALDH1A1MAPTHPGD
SCHEMBL6336116 0.81 CYP2A6 (0.51) CYP2A6KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL7762789 0.78 CYP2A6 (0.63) CYP2A6KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL12451637 0.77 HSD17B3 (0.68) KDM4EALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL15842498 0.76 KDM4E (0.61) KDM4ECYP1A2ALDH1A1HPGDNPC1
SCHEMBL30659713 0.76 NPC1 (0.44) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL15842493 0.75 KDM4E (0.73) CYP2A6KDM4ECYP1A2ALDH1A1HPGD

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 6 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-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
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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