SCHEMBL22708285

SCHEMBL22708285

CC(C)(C)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
KIF11 P52732 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNN4 O15554 4/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL8973 0.83 KIF11 (0.48) MAPK1ALDH1A1ALOX15KIF11TAAR1
Bromide SCHEMBL28557682 0.80 KIF11 (0.46) MAPK1ALDH1A1ALOX15KIF11TAAR1
Hydrochloric Acid SCHEMBL28556207 0.80 KIF11 (0.46) MAPK1ALDH1A1ALOX15KIF11TAAR1
Ammonia Solution, Strong SCHEMBL23726528 0.80 KIF11 (0.46) MAPK1ALDH1A1ALOX15KIF11TAAR1
SCHEMBL7183655 0.79 MAPK1 (0.64) MAPK1ALDH1A1ALOX15TAAR1ESR1
SCHEMBL11639499 0.77 MAPK1 (0.54) MAPK1ALDH1A1ALOX15KIF11TAAR1
Trifluoromethylbenzene SCHEMBL28660823 0.75 ALDH1A1 (0.67) MAPK1ALDH1A1ALOX15KIF11TAAR1
SCHEMBL19251035 0.75 MAPK1 (0.46) MAPK1ALDH1A1ALOX15TAAR1ESR1
SCHEMBL5750056 0.75 KIF11 (0.46) MAPK1ALDH1A1ALOX15KIF11KMT2A
SCHEMBL10202598 0.75 MAPK1 (0.46) MAPK1ALDH1A1ALOX15KIF11TAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-05-31 US disclosed
US-20200369620-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-26 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 (2 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-20200369620-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF CYP51A1, SLC39A11, ZC3HAV1L MAPK1 1234/4885ALDH1A1 777/4885ALOX15 1281/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L MAPK1 1234/4885ALDH1A1 777/4885ALOX15 1281/4885

“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.