SCHEMBL950887

SCHEMBL950887

O=C1c2ccccc2C2=CCCCC12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
S100A4 P26447 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PTPRC P08575 1/20 0.38
PTPRF P10586 1/20 0.38
CDC25B P30305 1/20 0.38
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2B P41595 1/20 0.35
CYP19A1 P11511 2/20 0.35
PIM1 P11309 1/20 0.34
TSHR P16473 1/20 0.34
PARP1 P09874 1/20 0.33
ALOX15 P16050 2/20 0.32

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
SCHEMBL3628570 0.71 CYP19A1 (0.43) MEN1KMT2APOLBCYP19A1TSHR
SCHEMBL6568999 0.69 HTR2A (0.34) MEN1KMT2AMAPTLMNATP53
SCHEMBL15217970 0.69 MAOA (0.32) CYP1A2ALDH1A1
SCHEMBL5582475 0.68
SCHEMBL15874621 0.67 CYP2A6 (0.39) PTPN1MAPTCYP19A1PARP1
SCHEMBL15874619 0.67 CYP2A6 (0.39) PTPN1MAPTCYP19A1PARP1
SCHEMBL2356347 0.65 MAPT (0.33) MAPT
SCHEMBL2241169 0.65 MAPT (0.33) MAPT
SCHEMBL901386 0.65 MAPT (0.33) MAPT
SCHEMBL11301311 0.65 TP53 (0.36) TP53HTR2BALDH1A1SMN1; SMN2

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US claimed
EP-1819656-A2 SYNTHESIS OF 1,5-DISTRIBUTED-2-HYDROXY-GIBBATETRAEN-6-ONES Merck & Co., Inc. (US) 2007-08-22 EP claimed
WO-2007081895-A2 PREPARATION OF SUBSTITUTED 2-HYDROXYGIBBA-1(10A), 2, 4, 4B-TETRAEN-6-ONES MERCK & CO., INC. (US) 2007-07-19 WO claimed
WO-2006050399-A2 SYNTHESIS OF 1,5-DISUBSTITUTED-2-HYDROXY-GIBBATETRAEN-6-ONES MERCK & CO., INC. (US) 2006-05-11 WO claimed
EP-1827421-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
EP-2773643-A1 PAK INHIBITORS FOR THE TREATMENT OF FRAGILE X SYNDROME Afraxis Holdings, Inc. (US) 2014-09-10 EP disclosed
EP-2773642-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS Afraxis Holdings, Inc. (US) 2014-09-10 EP disclosed
WO-2013067434-A1 PAK INHIBITORS FOR THE TREATMENT OF FRAGILE X SYNDROME AFRAXIS, INC. (US) 2013-05-10 WO disclosed
WO-2013067423-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-10 WO disclosed
EP-2453896-A2 METHODS FOR TREATING SCHIZOPHRENIA Afraxis, Inc. (US) 2012-05-23 EP disclosed
EP-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
EP-1943224-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
WO-2004026887-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-04-01 WO disclosed
EP-1339683-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-09-03 EP disclosed
WO-2003015761-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
US-20030027840-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2003-02-06 US disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2002041835-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-05-30 WO disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 WO disclosed
US-4731471-A (5,6-dichloro-3-oxo-2,3,9,9a-tetrahydrofluoren-7-yl)-alkanoic acids and alkanimidamides bearing novel functional 9a-substituents MERCK & CO., INC. (US) 1988-03-15 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 (2 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-20030027840-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA PTPN1 2246/4885S100A4 2610/4885MEN1 3259/4885
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones ESR1, GPER1, CYP19A1 PTPN1 4519/4885S100A4 4728/4885MEN1 2704/4885

“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.