SCHEMBL15853141

SCHEMBL15853141

CC(C)(C)c1cc(F)cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 3/20 0.41
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPRT1 P00492 1/20 0.35
KIF11 P52732 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
HPGD P15428 2/20 0.34
NR3C1 P04150 2/20 0.34
NR3C2 P08235 1/20 0.34
HTR2A P28223 1/20 0.33
NQO2 P16083 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL11073716 0.81 BACE1 (0.47) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL20114651 0.81 NR3C1 (0.38) NR3C1NR3C2
SCHEMBL22967807 0.80 CYP1A2 (0.43) CYP1A2CYP2A6ALDH1A1TSHRTDP1
SCHEMBL24712674 0.79 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL26579482 0.79 CYP1A2 (0.39) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL23565161 0.79 PTPN1 (0.39) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL21085333 0.78 ALDH1A1 (0.37) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL17030753 0.78 ALDH1A1 (0.40) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL2454488 0.78 CYP2A6 (0.40) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL12401757 0.78 CYP2A6 (0.40) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A

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-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 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-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-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 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-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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 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-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-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 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 (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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CYP2A6 3163/4885ALDH1A1 4178/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP1A2 1836/4885CYP2A6 3522/4885ALDH1A1 2326/4885
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF XPO4, OR10J3, EPB41 CYP1A2 721/4885CYP2A6 1658/4885ALDH1A1 2948/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 1845/4885CYP2A6 2842/4885ALDH1A1 4009/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 1845/4885CYP2A6 2842/4885ALDH1A1 4009/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CYP2A6 3163/4885ALDH1A1 4178/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CYP2A6 3163/4885ALDH1A1 4178/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS CYP1A2 4679/4885CYP2A6 4567/4885ALDH1A1 1577/4885
US-20230339981-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS CYP1A2 4742/4885CYP2A6 3882/4885ALDH1A1 4243/4885
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS CYP1A2 4742/4885CYP2A6 3882/4885ALDH1A1 4243/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS CYP1A2 3192/4885CYP2A6 2215/4885ALDH1A1 1405/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS CYP1A2 4679/4885CYP2A6 4567/4885ALDH1A1 1577/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP1A2 4271/4885CYP2A6 4656/4885ALDH1A1 4709/4885

“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.