SCHEMBL658114

SCHEMBL658114

CCNC(=O)c1cc(-c2cc(CC)c(OCc3ccccc3)cc2OCc2ccccc2)on1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.53
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 6/20 0.53
KDM4E B2RXH2 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MAPT P10636 6/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
NPC1 O15118 3/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
SMPD1 P17405 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 3/20 0.46
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL656918 0.93 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL19766834 0.92 HPGD (0.51) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL659699 0.91 HPGD (0.48) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL19638166 0.90 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL658368 0.90 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1578000 0.89 HPGD (0.52) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL2940881 0.89 HPGD (0.52) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL19766828 0.88 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL19638181 0.88 HPGD (0.49) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL657721 0.88 BRD4 (0.50) HPGDALDH1A1HSD17B10KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP claimed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP claimed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US claimed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO claimed
CN-107108591-B Resorcinol derivatives as HSP90 inhibitors 正大天晴药业集团股份有限公司 2020-05-05 CN disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 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 (3 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HPGD 589/4885ALDH1A1 1996/4885HSD17B10 630/4885
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P HPGD 593/4885ALDH1A1 1322/4885HSD17B10 408/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P HPGD 593/4885ALDH1A1 1322/4885HSD17B10 408/4885

“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.