SCHEMBL420951

SCHEMBL420951

O=C(O)c1ccc(C2=CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
FABP7 O15540 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
FABP5 Q01469 2/20 0.41
FABP3 P05413 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CD O00329 2/20 0.41
MTOR P42345 1/20 0.40
SRD5A2 P31213 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL20499591 0.85 MAPT (0.47) FABP7FABP5FABP3PIK3CAPIK3CD
SCHEMBL15505016 0.84 SMN1; SMN2 (0.44) IKBKETBK1FABP7FABP5FABP3
SCHEMBL3107969 0.82 FABP7 (0.53) IKBKETBK1FABP7FABP5FABP3
SCHEMBL31705648 0.82 FABP7 (0.53) IKBKETBK1FABP7FABP5FABP3
SCHEMBL26560458 0.80 HTR1D (0.43) IKBKETBK1FABP7PIK3CAPIK3CD
SCHEMBL15508803 0.80 ALDH1A1 (0.47) TSHRPIK3CAPIK3CDNPC1RAB9A
SCHEMBL19555991 0.79 P4HA1 (0.56) PIK3CAPIK3CDMTORALDH1A1
SCHEMBL31704858 0.78 CYP11B2 (0.51) IKBKETBK1FABP7PIK3CAPIK3CD
SCHEMBL2724261 0.78 IKBKE (0.42) IKBKETBK1FABP7FABP5FABP3
SCHEMBL31706135 0.78 CYP11B2 (0.51) IKBKETBK1FABP7PIK3CAPIK3CD

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
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US disclosed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP disclosed
EP-2888256-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2015-07-01 EP disclosed
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center (US) 2014-03-13 US disclosed
WO-2014031928-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE JONES PHILIP (US) 2014-02-27 WO disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
CN-102378753-A Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO LTD 2012-03-14 CN disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 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 (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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 IKBKE 875/4885TBK1 3630/4885FABP7 1937/4885
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 IKBKE 761/4885TBK1 2959/4885FABP7 3764/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 IKBKE 875/4885TBK1 3630/4885FABP7 1937/4885
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 IKBKE 62/4885TBK1 3210/4885FABP7 3667/4885

“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.