SCHEMBL4092400

SCHEMBL4092400

CCc1cc(-c2ccc(OC)cc2)ccc1C(=O)CCC(=O)NCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.66
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GSK3B P49841 1/20 0.49
THRB P10828 1/20 0.49
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL4092600 0.89 HSD17B1 (0.72) HSD17B1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL4100708 0.84 HSD17B1 (0.62) HSD17B1LMNAKDM4EHSD17B10MAPT
SCHEMBL4094282 0.83 HSD17B1 (0.77) HSD17B1LMNAGAAKMT2AMEN1
SCHEMBL4091199 0.81 HSD17B1 (0.80) HSD17B1LMNAMAPT
SCHEMBL4091894 0.79 HSD17B1 (1.00) HSD17B1LMNAMAPT
SCHEMBL4093192 0.79 GAA (0.67) HSD17B1LMNAGAAHTTSMN1; SMN2
SCHEMBL4085974 0.76 HSD17B1 (0.52) HSD17B1KMT2AMEN1
SCHEMBL4101406 0.76 HSD17B1 (0.61) HSD17B1LMNAGAAKMT2ANPC1
SCHEMBL4085580 0.75 ERCC5 (0.48) HSD17B1LMNAKMT2ANPC1RAB9A
SCHEMBL4099556 0.74 HTT (0.59) HSD17B1LMNANPC1RAB9AKDM4E

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 6 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
EP-2013176-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) 2009-01-14 EP 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
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 4/4885LMNA 1964/4885GAA 316/4885

“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.