SCHEMBL50950

SCHEMBL50950

COc1ccc(OBOc2ccc(OC)cc2C=O)c(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
ERN1 O75460 3/20 0.56
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP1A2 P05177 4/20 0.46
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
NFE2L2 Q16236 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 2/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL4599003 0.86 TUBB1 (0.54) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL172939 0.85 ALDH1A1 (0.71) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL29392394 0.85 ALDH1A1 (0.71) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL16112011 0.77 ALDH1A1 (0.61) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL27945949 0.77 ALDH1A1 (0.56) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL7591800 0.77 ERN1 (0.59) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL20488634 0.77 KDM4E (0.59) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL17919655 0.77 ALDH1A1 (0.56) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL29957021 0.77 ALDH1A1 (0.70) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL12672585 0.77 ALDH1A1 (0.70) ALDH1A1ERN1TRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10900941-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2021-01-26 US claimed
US-20180364206-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY 2018-12-20 US claimed
US-10900941-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2021-01-26 US disclosed
US-10788471-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2020-09-29 US disclosed
US-20180364206-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY 2018-12-20 US disclosed
US-20180292370-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION UNIV GEORGETOWN (US) 2018-10-11 US disclosed
US-10012627-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2018-07-03 US disclosed
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
US-20160011156-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY 2016-01-14 US disclosed
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 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 (2 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ALDH1A1 2258/4885ERN1 4009/4885TRIM24 4387/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ALDH1A1 2258/4885ERN1 4009/4885TRIM24 4387/4885

“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.