SCHEMBL6772545

SCHEMBL6772545

CN(CC(=O)O)C(=O)C#Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.66
VCP P55072 1/20 0.44
FFAR1 O14842 6/20 0.43
PAM P19021 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PIN1 Q13526 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
AGTR1 P30556 1/20 0.39
PAX8 Q06710 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 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
SCHEMBL6772787 0.82 NPSR1 (0.55) NPSR1VCPHSP90AA1MEN1KMT2A
SCHEMBL5769172 0.81 NPSR1 (0.64) NPSR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11636289 0.80 NPSR1 (1.00) NPSR1VCPFFAR1PAMDRD2
SCHEMBL10255248 0.75 NPSR1 (0.65) NPSR1VCPFFAR1PAMDRD2
SCHEMBL25918159 0.75 NPSR1 (0.70) NPSR1VCPDRD2HTR2AHTR2C
SCHEMBL972786 0.74 NPSR1 (0.47) NPSR1VCPFFAR1DRD2HTR2A
SCHEMBL6562126 0.73 NPSR1 (0.49) NPSR1VCPFFAR1PAMFFAR4
SCHEMBL19823670 0.71 NPSR1 (0.65) NPSR1VCPFFAR1DRD2HTR2A
SCHEMBL4189140 0.71 NPSR1 (0.50) NPSR1VCPFFAR1FFAR4UTS2R
SCHEMBL6071442 0.70 NPSR1 (0.58) NPSR1FFAR1NPC1RAB9AHSP90AA1

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 NPSR1 2254/4885VCP 3952/4885FFAR1 775/4885

“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.