SCHEMBL4096696

SCHEMBL4096696

CCc1cc(-c2ccc3c(c2)CCCC3=O)ccc1O

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.84
MAOA P21397 8/20 0.54
MAOB P27338 8/20 0.54
PRKCI P41743 1/20 0.54
BAZ2B Q9UIF8 1/20 0.46
PGR P06401 1/20 0.45
GRM5 P41594 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL4086223 0.91 HSD17B1 (1.00) HSD17B1MAOAMAOBPRKCIPGR
SCHEMBL4085867 0.81 HSD17B1 (1.00) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL4090561 0.79 HSD17B1 (1.00) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL9492189 0.78 HSD17B1 (0.61) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL3953461 0.76 HSD17B1 (0.71) HSD17B1CYP1A2
SCHEMBL8170785 0.75 HSD17B1 (0.71) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL3021186 0.75 HSD17B1 (0.74) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL13678958 0.74 HSD17B1 (0.75) HSD17B1CYP1A2
SCHEMBL14013915 0.73 MAOA (0.56) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL7584101 0.73 HSD17B1 (0.73) HSD17B1MAOAMAOBPRKCIBAZ2B

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 4/4885MAOA 470/4885MAOB 494/4885

“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.