SCHEMBL1157442

SCHEMBL1157442

COc1ccccc1C1(OC(C)=O)C=CC=CC1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 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
SCHEMBL11519877 0.81 PDK2 (0.32) ALDH1A1TSHRKDM4E
SCHEMBL11520353 0.81 GAA (0.36) HTTPOLBALDH1A1TSHRKDM4E
SCHEMBL17986192 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL17986195 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21526684 0.69 ELANE (0.37)
SCHEMBL11419786 0.68 CYP3A4 (0.39) KMT2ASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL6883947 0.67 LMNA (0.41) KMT2ASMN1; SMN2POLBALDH1A1TSHR
SCHEMBL10448804 0.67 GAA (0.35) HTTKMT2APOLBALDH1A1TSHR
SCHEMBL5696701 0.66 HTT (0.42) HTTKMT2ASMN1; SMN2POLBSIGMAR1
SCHEMBL9681362 0.66 KMT2A (0.42) HTTKMT2ASMN1; SMN2POLBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222681-B1 EFFICIENT ASPIRIN PRODRUGS PROVOST FELLOWS & SCHOLARS COLLEGE OF THE HOLY UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-02-17 EP disclosed
US-8486974-B2 Efficient aspirin prodrugs THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2013-07-16 US disclosed
US-20110046182-A1 EFFICIENT ASPIRIN PRODRUGS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2011-02-24 US disclosed
EP-2222681-A1 EFFICIENT ASPIRIN PRODRUGS The Provost, Fellows And Scholars Of The College Of The Holy And Undivided Trinity Of Queen Elizabeth (IE) 2010-09-01 EP disclosed
WO-2009080795-A1 EFFICIENT ASPIRIN PRODRUGS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2009-07-02 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 (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-20110046182-A1 EFFICIENT ASPIRIN PRODRUGS COX15, PTGS1, CYP3A43 HTT 4331/4885KMT2A 4796/4885SMN1; SMN2 2845/4885

“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.