SCHEMBL20329630

SCHEMBL20329630

COc1ccc2cc3oc4ccc(F)cc4c(=O)c3cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 5/20 0.63
HPGD P15428 4/20 0.63
NPC1 O15118 3/20 0.63
MAPT P10636 3/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
MAOA P21397 4/20 0.56
CYP2A6 P11509 1/20 0.49
RAD52 P43351 1/20 0.47
MAOB P27338 3/20 0.47
MAPK1 P28482 1/20 0.44
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
HSD17B10 Q99714 3/20 0.43

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
SCHEMBL20317339 0.95 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20329669 0.92 MAOA (0.56) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20329616 0.90 KDM4E (0.78) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20329731 0.90 KDM4E (0.78) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20317336 0.89 MAOA (0.59) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20317288 0.87 KMT2A (0.48) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20317291 0.87 KMT2A (0.48) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20329619 0.84 NPC1 (0.68) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20329733 0.84 NPC1 (0.68) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL20349980 0.84 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDNPC1MAPT

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 1 patent. 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

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 ALDH1A1 1200/4885KDM4E 2074/4885HPGD 303/4885

“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.