SCHEMBL4086117

SCHEMBL4086117

CCc1cc(-c2ccc(-c3cc(N)[nH]n3)cc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.50
ALPL P05186 6/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 1/20 0.43
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37

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
SCHEMBL4089846 0.79 MAPT (0.38) ALPLCA12CA9ALDH1A1MEN1
SCHEMBL13678958 0.78 HSD17B1 (0.75) HSD17B1BACE1ESR1ESR2AR
SCHEMBL21775723 0.77 ALPL (0.58) ALPLCA12CA9ALDH1A1NPC1
SCHEMBL4096433 0.77 HSD17B1 (0.53) HSD17B1ALPLCA12CA9BACE1
SCHEMBL3953461 0.76 HSD17B1 (0.71) HSD17B1BACE1ESR1ESR2AR
SCHEMBL4091026 0.74 LTA4H (0.55) HSD17B1ALDH1A1MEN1NPC1RAB9A
SCHEMBL26134242 0.72 HSD17B1 (0.68) HSD17B1BACE1MEN1KMT2AESR1
SCHEMBL2720462 0.72 HSD17B1 (0.68) HSD17B1BACE1MEN1KMT2AESR1
SCHEMBL1023129 0.71 HSD17B1 (0.66) HSD17B1BACE1ALDH1A1MEN1KMT2A
SCHEMBL1143959 0.71 ALPL (0.54) ALPLMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885ALPL 414/4885CA12 1385/4885

“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.