SCHEMBL8655702

SCHEMBL8655702

CC(C)(C)c1cc(O)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
MPI P34949 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
MIF P14174 1/20 0.45
TYR P14679 1/20 0.45
HTT P42858 1/20 0.45
NFE2L2 Q16236 1/20 0.45
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPM4 Q8TD43 1/20 0.42

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
SCHEMBL26577911 0.86 NQO2 (0.53) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL20970361 0.82 NQO2 (0.48) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL22071465 0.82 NQO2 (0.48) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL20970414 0.81 NQO2 (0.38) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL19695808 0.80 NQO2 (0.47) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL11402389 0.79 NQO2 (0.46) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL11955002 0.78 ALDH1A1 (0.48) NQO2ALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL24712674 0.78 CYP1A2 (0.57) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL15853141 0.78 CYP1A2 (0.41) NQO2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26579482 0.78 CYP1A2 (0.39) ALDH1A1MEN1KMT2AHSD17B10NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 US disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 US disclosed
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-11-23 US disclosed
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-11-23 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230339981-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339981-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 US disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-5723694-A REACTION OF FORMALDEHYDE WITH PHENOL AND CATALYTIC HYDROGENATION BAYER AKTIENGESELLSCHAFT (DE) 1998-03-03 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 (12 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 NQO2 446/4885ALDH1A1 3979/4885KDM4E 2546/4885
US-20240217982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS NQO2 461/4885ALDH1A1 3563/4885KDM4E 2597/4885
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS NQO2 1205/4885ALDH1A1 3457/4885KDM4E 3508/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NQO2 114/4885ALDH1A1 3753/4885KDM4E 3345/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NQO2 1318/4885ALDH1A1 4178/4885KDM4E 3220/4885
US-20230339981-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS NQO2 1933/4885ALDH1A1 4243/4885KDM4E 3751/4885
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS NQO2 1933/4885ALDH1A1 4243/4885KDM4E 3751/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS NQO2 1209/4885ALDH1A1 3193/4885KDM4E 3093/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF NQO2 48/4885ALDH1A1 3174/4885KDM4E 4039/4885
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NQO2 147/4885ALDH1A1 2059/4885KDM4E 3157/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NQO2 1821/4885ALDH1A1 1577/4885KDM4E 4202/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NQO2 138/4885ALDH1A1 3333/4885KDM4E 3332/4885

“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.