SCHEMBL4085552

SCHEMBL4085552

Oc1ccc(Oc2ccc(-c3cc[nH]n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ESR1 P03372 1/20 0.52
LTA4H P09960 6/20 0.45
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ALK Q9UM73 1/20 0.38
NPC1 O15118 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL6344688 0.90 MAPT (0.46) ESR2MEN1KMT2AESR1LTA4H
Hydrochloric Acid SCHEMBL30520597 0.88 MAPT (0.45) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL3364770 0.83 NPC1 (0.50) LTA4HNR1H2BAXNPC1
SCHEMBL1385301 0.81 SCN4A (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3367047 0.81 LMNA (0.53) MEN1KMT2ALTA4HMAPTPOLB
SCHEMBL28822256 0.81 LTA4H (0.51) MEN1KMT2ALTA4HMAPTALDH1A1
SCHEMBL16766999 0.79 LMNA (0.36) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL3366573 0.77 SCN9A (0.46)
SCHEMBL3369315 0.77 SCN4A (0.34) LTA4HMAPTNPC1ALPL
SCHEMBL13978567 0.77 SCN4A (0.41) MEN1KMT2AMAPTALDH1A1HPGD

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 ESR2 133/4885MEN1 1122/4885KMT2A 2145/4885

“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.