SCHEMBL7679486

SCHEMBL7679486

CCOC(=O)c1[nH]c2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
CYP1A2 P05177 1/20 0.60
XBP1 P17861 1/20 0.60
CYP2C19 P33261 1/20 0.60
MDM4 O15151 1/20 0.56
MDM2 Q00987 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 6/20 0.55
HTR6 P50406 2/20 0.55
TUBB4A P04350 3/20 0.54
TUBB P07437 3/20 0.54
TUBA3C P0DPH7 3/20 0.54
TUBA1B P68363 3/20 0.54
TUBA4A P68366 3/20 0.54
TUBB4B P68371 3/20 0.54
TUBB3 Q13509 3/20 0.54
TUBB2A Q13885 3/20 0.54
TUBB8 Q3ZCM7 3/20 0.54

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
SCHEMBL2956667 0.89 ALDH1A1 (0.73) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7673201 0.87 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL10475558 0.86 CSF1R (0.62) ALDH1A1HPGDMDM4MDM2TSHR
SCHEMBL6857725 0.86 HPGD (0.62) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7560870 0.85 HPGD (0.56) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2810876 0.85 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7676091 0.85 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4592331 0.85 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7528226 0.85 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL24074728 0.84 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 US disclosed
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 US disclosed
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 US disclosed
CN-111163774-A Bacterial efflux pump inhibitors 罗格斯新泽西州立大学 2020-05-15 CN disclosed
EP-3630109-A1 BACTERIAL EFFLUX PUMP INHIBITORS Rutgers, the State University of New Jersey (US) 2020-04-08 EP disclosed
WO-2018218192-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-11-29 WO disclosed
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US disclosed
US-6323228-B1 INHIBITING ANGIOGENESIS IN A MAMMAL IN RECOGNIZED NEED OF SUCH TREATMENT COMPRISING ADMINISTERING TO THE MAMMAL WITH INDOLE SUBSTITUTED WITH HYDRAZIDES ABBOTT LABORATORIES 2001-11-27 US disclosed
US-5354772-A Anticholesterol agents SANDOZ PHARM. CORP. (US) 1994-10-11 US disclosed
US-4739073-A ANTICHOLESTEROL AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1988-04-19 US disclosed
EP-0114027-B1 ANALOGS OF MEVALOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1988-01-07 EP disclosed
EP-0114027-A1 Analogs of mevalolactone and derivatives thereof, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1984-07-25 EP disclosed
WO-1984002131-A1 ANALOGS OF MEVALOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1984-06-07 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 ALDH1A1 98/4885HPGD 416/4885CYP1A2 1856/4885
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 ALDH1A1 953/4885HPGD 243/4885CYP1A2 544/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 ALDH1A1 953/4885HPGD 243/4885CYP1A2 544/4885

“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.