SCHEMBL31428985

SCHEMBL31428985

Cc1cc(-c2ccc3ccccc3c2)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.50
DHODH Q02127 1/20 0.46
IP6K1 Q92551 4/20 0.44
IP6K3 Q96PC2 4/20 0.44
IP6K2 Q9UHH9 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
MLKL Q8NB16 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL24976116 1.00 CTRC (0.50) CTRCDHODHIP6K1IP6K3IP6K2
SCHEMBL31428992 0.88 IP6K1 (0.53) DHODHIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL31428448 0.86 MAPT (0.51) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL24975796 0.86 MAPT (0.51) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL31429025 0.85 IP6K1 (0.55) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL24975611 0.85 IP6K1 (0.55) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL24975465 0.85 ABCG2 (0.43) CTRCDHODHALDH1A1KDM4EGAA
SCHEMBL31428407 0.85 ABCG2 (0.43) CTRCDHODHALDH1A1KDM4EGAA
SCHEMBL31428983 0.81 ALDH1A1 (0.49) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL24975642 0.81 ABL1 (0.52) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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 (1 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS CTRC 3010/4885DHODH 3234/4885IP6K1 1834/4885

“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.