SCHEMBL2249403

SCHEMBL2249403

CCC(O)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
PGR P06401 1/20 0.53
CYP2A6 P11509 2/20 0.48
F2R P25116 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
CYP19A1 P11511 3/20 0.40
HSD11B1 P28845 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL18245963 1.00 LMNA (0.54) LMNAPGRCYP2A6F2RALDH1A1
SCHEMBL12807988 0.94 PGR (0.56) LMNAPGRCYP2A6F2RALDH1A1
SCHEMBL12807821 0.94 PGR (0.56) LMNAPGRCYP2A6F2RALDH1A1
SCHEMBL11980400 0.83 CA12 (0.43) PGRCYP2A6F2RALDH1A1CA12
SCHEMBL9647636 0.82 TSHR (0.45) PGRCYP2A6F2RALDH1A1CA12
SCHEMBL1607138 0.82 LMNA (0.75) LMNAPGRALDH1A1KDM4EMAPT
SCHEMBL13174142 0.81 CA12 (0.44) CYP2A6F2RALDH1A1CA12CA2
SCHEMBL11980418 0.81 CA12 (0.44) CYP2A6F2RALDH1A1CA12CA2
SCHEMBL28239877 0.81 CA12 (0.44) CYP2A6F2RALDH1A1CA12CA2
SCHEMBL13567549 0.80 CYP2A6 (0.45) PGRCYP2A6F2RALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332900-B Olefin compound and synthesis method thereof 华中科技大学 2024-12-06 CN disclosed
CN-116332900-A Olefin compound and synthesis method thereof 华中科技大学 2023-06-27 CN disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-8003627-B2 Urokinase inhibitors UNIVERSITEIT ANTWERPEN (BE) 2011-08-23 US disclosed
US-7837981-B2 Methods for imaging soluble A-beta GENERAL ELECTRIC COMPANY (US) 2010-11-23 US disclosed
US-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
US-7727511-B2 Agents for imaging soluble a-beta GENERAL ELECTRIC COMPANY (US) 2010-06-01 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 US disclosed
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-08-16 US disclosed
US-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-06-21 US disclosed
EP-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP 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 (5 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-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 LMNA 4038/4885PGR 990/4885CYP2A6 515/4885
US-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 LMNA 419/4885PGR 4703/4885CYP2A6 4767/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 LMNA 4038/4885PGR 990/4885CYP2A6 515/4885
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A LMNA 2653/4885PGR 3616/4885CYP2A6 445/4885
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 LMNA 691/4885PGR 4670/4885CYP2A6 4814/4885

“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.