SCHEMBL8305775

SCHEMBL8305775

Cc1ccc(N2CCCCC2=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
TP53 P04637 2/20 0.44
PARP1 P09874 5/20 0.42
AKR1C3 P42330 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
F10 P00742 2/20 0.39
SRD5A1 P18405 2/20 0.38
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
KCNQ2 O43526 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL12848677 0.98 HSD17B10 (0.44) HSD17B10TP53PARP1AKR1C3MEN1
SCHEMBL8306091 0.95 HSD17B10 (0.50) HSD17B10TP53PARP1AKR1C3MEN1
SCHEMBL8305499 0.84 HSD17B10 (0.51) HSD17B10TP53AKR1C3MEN1KMT2A
SCHEMBL76589 0.83 ALDH1A1 (0.45) HSD17B10PARP1MEN1KMT2AF10
SCHEMBL29349011 0.81 HSD17B10 (0.42) HSD17B10PARP1MEN1KMT2AF10
SCHEMBL16190037 0.81 PARP1 (0.42) HSD17B10PARP1AKR1C3F10ALDH1A1
SCHEMBL85665 0.81 ALDH1A1 (0.44) HSD17B10PARP1MEN1KMT2AF10
SCHEMBL8305486 0.81 HSD17B10 (0.45) HSD17B10TP53AKR1C3MEN1KMT2A
SCHEMBL17244485 0.81 HSD17B10 (0.64) HSD17B10TP53AKR1C3MEN1KMT2A
SCHEMBL8136067 0.81 TP53 (0.48) TP53F10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa CEZANNE BERTRAM 2008-04-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (4 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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 HSD17B10 2651/4885TP53 452/4885PARP1 863/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD HSD17B10 3381/4885TP53 3270/4885PARP1 601/4885
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa F2, F11, F12 HSD17B10 1254/4885TP53 1461/4885PARP1 991/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB HSD17B10 1922/4885TP53 1525/4885PARP1 1705/4885

“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.