SCHEMBL225031

SCHEMBL225031

O=C1CCCCCC1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
PTGS1 P23219 3/20 0.56
OPRK1 P41145 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD11B1 P28845 1/20 0.53
KDM4E B2RXH2 1/20 0.53
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 3/20 0.47
CA6 P23280 3/20 0.47
MCL1 Q07820 1/20 0.45
MT-CO2 P00403 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7338783 1.00 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL4595 0.98 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169546 0.98 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9790769 0.98 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL23056654 0.93 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169544 0.93 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL793526 0.93 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9145459 0.90 PTGS2 (0.54) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9144882 0.86 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29016897 0.85 DDB1 (0.61) PTGS2PTGS1OPRK1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 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 (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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 PTGS2 2136/4885PTGS1 938/4885OPRK1 745/4885
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 PTGS2 3421/4885PTGS1 3244/4885OPRK1 4159/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 PTGS2 3624/4885PTGS1 2726/4885OPRK1 1452/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 PTGS2 2249/4885PTGS1 1181/4885OPRK1 543/4885

“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.