SCHEMBL4053151

SCHEMBL4053151

COc1ccc(N2C(=O)[C@H](OC(C)=O)[C@@H]2c2ccco2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
SOAT1 P35610 1/20 0.39
HSD11B1 P28845 1/20 0.39
CCR1 P32246 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX3 P56373 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CCR2 P41597 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
SCHEMBL4060666 1.00 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL4053154 1.00 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL13778887 0.82 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2SOAT1HSD11B1CCR1
SCHEMBL4056342 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL13980344 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9373947 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL8125732 0.81 SOAT1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNASOAT1
SCHEMBL6651639 0.81 SOAT1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNASOAT1
SCHEMBL6651637 0.81 SOAT1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNASOAT1
SCHEMBL4168197 0.80 SMN1; SMN2 (0.40) SMN1; SMN2SOAT1HSD11B1CCR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009118750-A1 STEREOSELECTIVE HYDROLYSIS FOR THE RESOLUTION OF RACEMIC MIXTURES OF (+/-) -CIS-S-ACETOXY-L- (4-METHOXYPHENYL) -4- (2-FURYL) -2-AZETIDINONE, (+/-) -CIS-S-ACETOXY-L- (4-METHOXYPHENYL) -4- (2-THIENYL) -2-AZETIDINONE, OR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-10-01 WO disclosed
WO-2009118750-A1 STEREOSELECTIVE HYDROLYSIS FOR THE RESOLUTION OF RACEMIC MIXTURES OF (+/-) -CIS-S-ACETOXY-L- (4-METHOXYPHENYL) -4- (2-FURYL) -2-AZETIDINONE, (+/-) -CIS-S-ACETOXY-L- (4-METHOXYPHENYL) -4- (2-THIENYL) -2-AZETIDINONE, OR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-10-01 WO disclosed
EP-1165553-B1 C10 ESTER SUBSTITUTED TAXANES AS ANTITUMOR AGENTS UNIV FLORIDA STATE RES FOUND (US) 2009-06-03 EP disclosed
US-7524869-B2 Taxanes having a C10 ester substituent FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-04-28 US disclosed
US-7524869-B2 Taxanes having a C10 ester substituent FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-04-28 US disclosed
EP-1165551-B1 C10 CARBAMOYLOXY SUBSTITUTED TAXANES AS ANTITUMOR AGENTS UNIV FLORIDA STATE RES FOUND (US) 2008-07-16 EP disclosed
EP-1183253-B1 C7 ESTER SUBSTITUTED TAXANES AS ANTITUMOR AGENTS UNIV FLORIDA STATE RES FOUND (US) 2008-05-21 EP disclosed
EP-1165549-B1 C7 CARBAMOYLOXY SUBSTITUTED TAXANES AS ANTITUMOR AGENTS UNIV FLORIDA STATE RES FOUND (US) 2008-04-16 EP disclosed
EP-1165068-B1 C10 HETEROSUBSTITUTED ACETATE TAXANES AS ANTITUMOR AGENTS UNIV FLORIDA STATE RES FOUND (US) 2007-12-19 EP disclosed
US-20070249708-A1 C7 ESTER AND C10 HYDROXY SUBSTITUTED TAXANES FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-25 US disclosed
US-7226944-B2 Taxanes having a C7 carbonate substituent FSU RESEARCH FOUNDATION, INC. (US) 2007-06-05 US disclosed
US-7226944-B2 Taxanes having a C7 carbonate substituent FSU RESEARCH FOUNDATION, INC. (US) 2007-06-05 US disclosed
US-7186849-B2 C7 ester substituted taxanes FSU RESEARCH FOUNDATION, INC. (US) 2007-03-06 US disclosed
US-7186849-B2 C7 ester substituted taxanes FSU RESEARCH FOUNDATION, INC. (US) 2007-03-06 US disclosed
US-7183312-B2 Taxanes having a C7 heterosubstituted acetate substituent FSU RESEARCH FOUNDATION, INC. (US) 2007-02-27 US disclosed
US-7183312-B2 Taxanes having a C7 heterosubstituted acetate substituent FSU RESEARCH FOUNDATION, INC. (US) 2007-02-27 US disclosed
US-7160919-B2 C7 lactyloxy-substituted taxanes FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-01-09 US disclosed
US-7160919-B2 C7 lactyloxy-substituted taxanes FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-01-09 US disclosed
US-7157474-B2 C10 heterosubstituted acetate taxane compositions FSU RESEARCH FOUNDATION, INC. (US) 2007-01-02 US disclosed
US-7157474-B2 C10 heterosubstituted acetate taxane compositions FSU RESEARCH FOUNDATION, INC. (US) 2007-01-02 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-20070249708-A1 C7 ESTER AND C10 HYDROXY SUBSTITUTED TAXANES CCR7, CCR10, DHCR7 ALDH1A1 976/4885MAPT 3893/4885SMN1; SMN2 406/4885

“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.