SCHEMBL102484

SCHEMBL102484

CC(C)(C)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
ALOX15 P16050 3/20 0.57
HSD17B10 Q99714 2/20 0.57
NR1I2 O75469 1/20 0.57
LMNA P02545 1/20 0.57
CYP2C9 P11712 1/20 0.57
MIF P14174 1/20 0.57
TYR P14679 1/20 0.57
HTT P42858 1/20 0.57
NFE2L2 Q16236 1/20 0.57
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
ATP2A2 P16615 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATP2A3 Q93084 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL17300225 0.86 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL17141574 0.86 MEN1 (0.44) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL863774 0.85 CES2 (0.55) ALDH1A1HSD17B10CYP2C9MAPTKDM4E
SCHEMBL109921 0.85 ALDH1A1 (0.67) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL29364103 0.85 ALDH1A1 (0.67) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL9861813 0.84 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL1599382 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL12731826 0.83 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL15941838 0.83 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10NR1I2LMNA
Hydrochloric Acid SCHEMBL4359705 0.83 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10NR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988061-B Purification method 罗门哈斯电子材料有限责任公司 2022-08-02 CN claimed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
CN-109988061-B Purification method 罗门哈斯电子材料有限责任公司 2022-08-02 CN disclosed
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-27 US disclosed
US-10875864-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-12-29 US disclosed
US-10392392-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-20190071446-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2019-03-07 US disclosed
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 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 (9 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-10875864-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors PIM2, PIM1, PIM3 ALDH1A1 2430/4885ALOX15 4496/4885HSD17B10 3863/4885
US-20190071446-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3433/4885ALOX15 4424/4885HSD17B10 4685/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS ALDH1A1 2917/4885ALOX15 4571/4885HSD17B10 3449/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3601/4885ALOX15 4678/4885HSD17B10 4466/4885
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF CHRNB2, ADRB2, CHRNB1 ALDH1A1 2746/4885ALOX15 2397/4885HSD17B10 2194/4885
US-10392392-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors PIM1, PIM2, PIM3 ALDH1A1 3557/4885ALOX15 4545/4885HSD17B10 4596/4885
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 1612/4885ALOX15 4761/4885HSD17B10 4580/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 ALDH1A1 2140/4885ALOX15 4338/4885HSD17B10 1544/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3433/4885ALOX15 4424/4885HSD17B10 4685/4885

“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.