SCHEMBL4513312

SCHEMBL4513312

C=C(COC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
THRB P10828 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
RAB9A P51151 1/20 0.35
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1520965 0.84 ALDH1A1 (0.48) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL17636413 0.82 THRB (0.43) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL9615000 0.82 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL4087701 0.82 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL9350161 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL20261858 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL23894805 0.80 THRB (0.48) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL13219148 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL2258666 0.80 ALDH1A1 (0.54) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL16884944 0.80 ALDH1A1 (0.45) ALDH1A1TSHRMAPTNPSR1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013749-B1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-03-11 EP disclosed
US-12435046-B2 Alkynyl quinazoline compounds BLACK DIAMOND THERAPEUTICS, INC. (US) 2025-10-07 US disclosed
EP-4501932-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2025-02-05 EP disclosed
EP-3880208-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-11-20 EP disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
CN-117561385-A Transmission belt 戴科欧洲有限公司 2024-02-13 CN disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 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 (8 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 ALDH1A1 2259/4885TSHR 1500/4885MAPT 4806/4885
US-12435046-B2 Alkynyl quinazoline compounds GLS, GLS2, MCL1 ALDH1A1 769/4885TSHR 2974/4885MAPT 4455/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885TSHR 4633/4885MAPT 2899/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885TSHR 2837/4885MAPT 1888/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ALDH1A1 3370/4885TSHR 4273/4885MAPT 3928/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ALDH1A1 2203/4885TSHR 1599/4885MAPT 4805/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885TSHR 4752/4885MAPT 3731/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ALDH1A1 3370/4885TSHR 4273/4885MAPT 3928/4885

“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.