SCHEMBL18312062

SCHEMBL18312062

O=c1c(-c2ccccc2)coc2ccc3ccc(F)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
MAPT P10636 8/20 0.49
HPGD P15428 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TP53 P04637 4/20 0.49
CYP3A4 P08684 4/20 0.49
HSD17B10 Q99714 3/20 0.49
ALOX15 P16050 2/20 0.49
USP2 O75604 1/20 0.49
ALOX12 P18054 1/20 0.49
BRCA1 P38398 1/20 0.49
BLM P54132 1/20 0.49
KDM4E B2RXH2 6/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
POLB P06746 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
THRB P10828 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
SCHEMBL18311997 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL18312071 0.85 POLB (0.55) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL8211 0.84 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL16506188 0.84 POLB (0.60) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL18311992 0.84 POLB (0.51) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL18312196 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL18311999 0.81 AHR (0.44) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL18312124 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL18312268 0.78 KDM4E (0.60) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL18312135 0.78 NFKB1 (0.47) ALDH1A1SMN1; SMN2MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118707-A1 BETA-NAPHTHOISOFLAVONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-05-03 US disclosed
US-20180118707-A1 BETA-NAPHTHOISOFLAVONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-05-03 US disclosed
WO-2016200817-A1 BETA-NAPHTHOISOFLAVONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2016-12-15 WO 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-20180118707-A1 BETA-NAPHTHOISOFLAVONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, ARNT, NR1H2 ALDH1A1 318/4885SMN1; SMN2 3434/4885MAPT 3748/4885

“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.