SCHEMBL6768182

SCHEMBL6768182

CCOC(=O)CN(C(=O)C#Cc1ccccc1)[C@@H](C)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
PPARG P37231 2/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
PTGES O14684 2/20 0.38
GSK3B P49841 2/20 0.38
CHRM5 P08912 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 0.74 NPSR1 (0.55) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL13721776 0.73 ALOX15 (0.42) MAPTTP53MEN1NPC1POLB
SCHEMBL13721907 0.73 ALOX15 (0.42) MAPTTP53MEN1NPC1POLB
SCHEMBL6771470 0.70 FFAR1 (0.44) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9418261 0.69 ALOX5 (0.49) MAPTTP53POLBALDH1A1HSD17B10
SCHEMBL25295175 0.69 TP53 (0.40) MAPTTP53POLBALDH1A1HSD17B10
SCHEMBL25255966 0.69 TP53 (0.40) MAPTTP53POLBALDH1A1HSD17B10
SCHEMBL29582293 0.68 TP53 (0.48) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL28290037 0.68 NPSR1 (0.57) MAPTMEN1NPC1POLBRAB9A
SCHEMBL9392691 0.67 ALOX15 (0.59) MAPTTP53NPC1RAB9AKMT2A

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 2 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
US-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors BAYER PHARMACEUTICALS CORPORATION 2003-05-08 US 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 MAPT 3975/4885TP53 4064/4885MEN1 3084/4885

“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.