SCHEMBL258754

SCHEMBL258754

COc1c(C)cc(Br)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
IMPDH2 P12268 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ACHE P22303 1/20 0.36
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.33
TPMT P51580 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
APOBEC3A P31941 1/20 0.32
HTT P42858 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CA1 P00915 1/20 0.32
CA6 P23280 1/20 0.32

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
SCHEMBL31643870 1.00 CA2 (0.43) CA2CA4IMPDH2ALDH1A1ACHE
SCHEMBL21757385 0.84 CA2 (0.46) CA2CA4IMPDH2ALDH1A1ACHE
SCHEMBL524143 0.83 CA2 (0.56) CA2CA4IMPDH2ALDH1A1ACHE
SCHEMBL27723102 0.81 CA2 (0.43) CA2CA4IMPDH2ALDH1A1ACHE
SCHEMBL21757381 0.80 PTGS2 (0.39) CA2CA4IMPDH2ALDH1A1HSD17B10
SCHEMBL27631190 0.79 ACHE (0.50) CA2CA4IMPDH2ALDH1A1ACHE
SCHEMBL29217850 0.78 CA2 (0.56) CA2CA4ALDH1A1ACHEHSD17B10
SCHEMBL148267 0.77 ALDH1A1 (0.43) ALDH1A1ACHEMAPTPOLBLMNA
SCHEMBL8909068 0.76 CA2 (0.43) CA2CA4ALDH1A1ACHEHPGD
SCHEMBL21757355 0.76 THRB (0.44) ALDH1A1HSD17B10L3MBTL1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228811-A1 Triester Compounds And Methods Of Use Thereof LIFEMINE THERAPEUTICS, INC. 2025-07-17 US disclosed
EP-3842410-A1 FIBRIC ACID COMPOUND AND MEDICAL USE THEREOF Beijing Wholesomeyird Sci & Tech Co., Ltd. (CN) 2021-06-30 EP disclosed
US-8067642-B2 Chiral phosphorous compounds Celtice Catalysts Limited, Nova UCD (IE) 2011-11-29 US disclosed
US-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS CELTIC CATALYSTS LIMITED (IE) 2010-07-01 US disclosed
EP-2139905-A2 CHIRAL DIPHOSPINES, METHODS FOR THEIR PREPARATION, TRANSITION METAL COMPLEXES COMPRISING THEM AND USE IN CHIRAL SYNTHESIS Celtic Catalysts Limited (IE) 2010-01-06 EP disclosed
WO-2008117054-A2 CHIRAL DIPHOSPHINES, METHODS FOR THEIR PREPARATION, TRANSITION METAL COMPLEXES COMPRISING THEM AND USE IN CHIRAL SYNTHESIS CELTIC CATALYSTS LIMITED (IE) 2008-10-02 WO 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-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS RPP30, PLCB3, INPP5D CA2 130/4885CA4 60/4885IMPDH2 4144/4885
US-20250228811-A1 Triester Compounds And Methods Of Use Thereof CYP46A1, CYP17A1, CYP27A1 CA2 4802/4885CA4 2292/4885IMPDH2 2425/4885

“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.