SCHEMBL8938451

SCHEMBL8938451

CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.68
HPGD P15428 1/20 0.68
XBP1 P17861 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALOX15 P16050 8/20 0.60
CSF1R P07333 1/20 0.58
NHERF1 O14745 1/20 0.58
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.53
PTGS2 P35354 1/20 0.52
TP53 P04637 1/20 0.52
HTR6 P50406 1/20 0.51

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
SCHEMBL5556254 0.86 CYP1A2 (0.55) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL12496609 0.85 ALDH1A1 (0.66) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL7671532 0.85 HTR6 (0.68) ALDH1A1HPGDMAPTTP53HTR6
SCHEMBL9189433 0.84 ALDH1A1 (0.65) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL8938387 0.84 NHERF1 (0.66) ALDH1A1NHERF1MAPTMEN1KMT2A
SCHEMBL4614808 0.83 ALDH1A1 (0.63) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL29617493 0.82 ALDH1A1 (0.66) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL21264669 0.82 ALDH1A1 (0.66) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL15622584 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL2715272 0.81 ALDH1A1 (1.00) ALDH1A1CYP1A2HPGDXBP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690824-B2 Antibacterial compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-07-04 US disclosed
US-20210251958-A1 Antibacterial Compounds RHODE ISLAND HOSPITAL, A LIFESPAN-PARTNER 2021-08-19 US disclosed
US-10577356-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2020-03-03 US disclosed
US-10577356-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2020-03-03 US disclosed
US-20190040045-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2019-02-07 US disclosed
US-20190040045-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2019-02-07 US disclosed
US-10118914-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2018-11-06 US disclosed
US-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2017-06-15 US disclosed
US-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2017-06-15 US disclosed
US-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2017-06-15 US disclosed
WO-2015195486-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2015-12-23 WO disclosed
WO-2015044928-A1 SUBSTITUTED INDOLES AND THEIR USE AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS STELLENBOSCH UNIVERSITY (ZA) 2015-04-02 WO disclosed
US-5527819-A TREATING AIDS MERCK & CO., INC. (US) 1996-06-18 US disclosed
EP-0686148-A4 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO INC (US) 1996-02-07 EP disclosed
EP-0686148-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO. INC. (US) 1995-12-13 EP disclosed
EP-0678508-A1 Indoles as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1995-10-25 EP disclosed
WO-1994019321-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-09-01 WO disclosed
WO-1993005020-A1 INDOLES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1993-03-18 WO disclosed
EP-0530907-A1 Indoles as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1993-03-10 EP 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 (6 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-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM CNR1, CNR2, ARRB1 ALDH1A1 2372/4885CYP1A2 2107/4885HPGD 2094/4885
US-10577356-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them CNR1, CNR2, ARRB1 ALDH1A1 2372/4885CYP1A2 2107/4885HPGD 2094/4885
US-10118914-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them CNR1, CNR2, ARRB1 ALDH1A1 2372/4885CYP1A2 2107/4885HPGD 2094/4885
US-11690824-B2 Antibacterial compounds MRPL21, SPOUT1, BAX ALDH1A1 2131/4885CYP1A2 2853/4885HPGD 502/4885
US-20210251958-A1 Antibacterial Compounds MRPL21, SPOUT1, BAX ALDH1A1 2131/4885CYP1A2 2853/4885HPGD 502/4885
US-20190040045-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM CNR1, CNR2, ARRB1 ALDH1A1 2372/4885CYP1A2 2107/4885HPGD 2094/4885

“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.