SCHEMBL10176702

SCHEMBL10176702

CC(C)(C)c1ccc(O)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TYR P14679 3/20 0.59
ALOX15 P16050 2/20 0.59
LMNA P02545 2/20 0.59
NR1I2 O75469 1/20 0.59
CYP2C9 P11712 1/20 0.59
MIF P14174 1/20 0.59
HTT P42858 1/20 0.59
NFE2L2 Q16236 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KIF11 P52732 2/20 0.46
ESRRG P62508 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
AR P10275 3/20 0.41
GAA P10253 1/20 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
SCHEMBL10664383 0.91 ALDH1A1 (0.59) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL30368360 0.86 KIF11 (0.52) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL2160202 0.86 ALDH1A1 (0.70) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL3022860 0.86 KIF11 (0.52) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL20114465 0.80 HSD17B10 (0.42) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL187806 0.77 ALDH1A1 (0.64) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL29384482 0.77 ALDH1A1 (0.64) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL9694190 0.76 KIF11 (0.47) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL29426965 0.76 KIF11 (0.47) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL10034978 0.76 NR1I2 (0.45) ALDH1A1TYRALOX15LMNANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
US-10822312-B2 Substituted quinazoline compounds and methods of use ARAXES PHARMA LLC (US) 2020-11-03 US disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 US disclosed
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA, LLC 2019-05-02 US disclosed
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 US disclosed
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 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 (13 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS ALDH1A1 3979/4885TYR 3759/4885ALOX15 4646/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885TYR 2254/4885ALOX15 4573/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2326/4885TYR 3507/4885ALOX15 4429/4885
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE CDC7, CDK17, CDCA2 ALDH1A1 2165/4885TYR 3565/4885ALOX15 4826/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4009/4885TYR 1353/4885ALOX15 4811/4885
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE NRAS, KRAS, HRAS ALDH1A1 4436/4885TYR 2135/4885ALOX15 4727/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885TYR 2254/4885ALOX15 4573/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885TYR 2254/4885ALOX15 4573/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885TYR 4718/4885ALOX15 4380/4885
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 ALDH1A1 3275/4885TYR 1385/4885ALOX15 2583/4885
US-10822312-B2 Substituted quinazoline compounds and methods of use NRAS, KRAS, HRAS ALDH1A1 3027/4885TYR 3007/4885ALOX15 4378/4885
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 ALDH1A1 2155/4885TYR 30/4885ALOX15 976/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885TYR 4718/4885ALOX15 4380/4885

“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.