SCHEMBL20317344

SCHEMBL20317344

COc1ccc2c(=O)c3cc4c5c(ccc4cc3oc2c1)OCO5

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ MAOA P21397 3/20 0.52
▸ MAPT P10636 6/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 4/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ POLB P06746 1/20 0.45
▸ STAT1 P42224 1/20 0.45

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
SCHEMBL20317343 0.93 NPC1 (0.58) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20317303 0.82 ALDH1A1 (0.44) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20317342 0.82 MAPK1 (0.38) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20317280 0.82 MAOA (0.47) CYP3A4CYP1A2NPC1RAB9AMAOA
SCHEMBL20317305 0.80 CYP1A2 (0.46) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20317340 0.80 MAOA (0.51) NPC1RAB9AMAOAMAPTSMN1; SMN2
SCHEMBL20317350 0.79 PIM1 (0.43) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20317316 0.79 KDM4E (0.38) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20317341 0.79 MAOA (0.53) CYP3A4NPC1RAB9AMAOAMAPT
SCHEMBL20349998 0.79 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 — — US disclosed
US-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 CYP3A4 335/4885CYP1A2 76/4885CYP2D6 244/4885

“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.

Send feedback