SCHEMBL6768102

SCHEMBL6768102

CN1C(=O)C[C@@H](c2ccccc2F)[C@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 11/20 0.53
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
BRD4 O60885 2/20 0.40
POLB P06746 1/20 0.39
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL6777855 1.00 HSD17B2 (0.53) HSD17B2ALDH1A1GAATSHRBRD4
SCHEMBL6767812 0.79 HSD17B2 (0.58) HSD17B2
SCHEMBL7140657 0.79 HSD17B2 (0.58) HSD17B2
SCHEMBL8744078 0.79 HSD17B2 (0.58) HSD17B2
SCHEMBL6767810 0.79 HSD17B2 (0.58) HSD17B2
SCHEMBL15185085 0.70 BRD4 (0.42) TSHRBRD4MEN1KMT2A
SCHEMBL511478 0.70 HSD17B2 (0.77) HSD17B2
SCHEMBL7625130 0.70 TSHR (0.45) HSD17B2ALDH1A1GAATSHRBRD4
SCHEMBL511978 0.69 HSD17B2 (0.71) HSD17B2
SCHEMBL6772965 0.68 BRD4 (0.68) HSD17B2BRD4

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-6784167-B2 TREATING OSTEOPOROSIS, OSTEOPENIA, OVARIAN CANCER, BREAST CANCER, ENDOMETRIAL CANCER, ENDOMETRIOSIS, PROSTATE CANCER, ACNE, ANDROGEN-DEPENDENT HAIR LOSS, NON-INSULIN-DEPENDENT DIABETES MELLITUS, OR HYPERCHOLESTEROLEMIA. BAYER PHARMACEUTICALS CORPORATION 2004-08-31 US disclosed
EP-1326829-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS Bayer Pharmaceuticals Corporation (US) 2003-07-16 EP disclosed
US-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors BAYER PHARMACEUTICALS CORPORATION 2003-05-08 US disclosed
WO-2002026706-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2002-04-04 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-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors HSD3B1, HSD3B2, HSD17B1 HSD17B2 4/4885ALDH1A1 86/4885GAA 860/4885

“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.