SCHEMBL6841589

SCHEMBL6841589

Cc1cc(O)c(O)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.65
SELP P16109 1/20 0.65
SELE P16581 1/20 0.65
ALDH1A1 P00352 4/20 0.52
RECQL P46063 2/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
APEX1 P27695 1/20 0.52
MPI P34949 1/20 0.52
ACHE P22303 1/20 0.50
HSD17B10 Q99714 5/20 0.43
TSHR P16473 4/20 0.43
TTR P02766 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 3/20 0.40

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
SCHEMBL64932 0.86 ALDH1A1 (0.58) SELLSELPSELEALDH1A1RECQL
SCHEMBL13855810 0.80 SELL (0.46) SELLSELPSELEALDH1A1RECQL
SCHEMBL67584 0.80 SELL (1.00) SELLSELPSELEALDH1A1RECQL
SCHEMBL4396495 0.79 ALDH1A1 (0.52) SELLSELPSELEALDH1A1RECQL
SCHEMBL8990158 0.79 HSD17B10 (0.43) SELLSELPSELEALDH1A1RECQL
SCHEMBL17864586 0.79 ACHE (0.65) SELLSELPSELEALDH1A1RECQL
SCHEMBL7724614 0.79 HPGD (0.56) SELLSELPSELEALDH1A1RECQL
SCHEMBL23409889 0.75 SELL (0.46) SELLSELPSELEALDH1A1RECQL
SCHEMBL31200564 0.75 SELL (0.46) SELLSELPSELEALDH1A1RECQL
SCHEMBL4544561 0.75 ALDH1A1 (0.60) SELLSELPSELEALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132603-A2 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-06-25 WO disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE SHIONOGI & CO., LTD. (JP) 2014-03-27 US disclosed
EP-2703406-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE Shionogi & Co., Ltd. (JP) 2014-03-05 EP disclosed
US-6759435-B1 SUCH AS METHYL-(1-(2-(1-PHENYL-ETHYL)-PHENYL)-ETHYL)-AMINE; SEROTONIN REUPTAKE INHIBITORS A.P. Group Inc. 2004-07-06 US disclosed
EP-0257828-B1 DIPROPARGYLOXYBENZENE COMPOUNDS AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-27 EP disclosed
US-4870064-A PHYTOPATHOGEN FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-09-26 US disclosed
EP-0257828-A1 Dipropargyloxybenzene compounds and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-02 EP disclosed
US-4011181-A POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES OLIN CORPORATION (US) 1977-03-08 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 (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-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE COMT, CMBL, CEP170 SELL 2569/4885SELP 2562/4885SELE 2265/4885
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL SELL 3556/4885SELP 3882/4885SELE 3639/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 SELL 3068/4885SELP 2254/4885SELE 2417/4885

“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.