SCHEMBL27022285

SCHEMBL27022285

CSc1cccc2[nH]c(C(C)C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
SLC2A1 P11166 1/20 0.39
KIF11 P52732 4/20 0.38
CHRM4 P08173 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
AHR P35869 1/20 0.31
VDR P11473 1/20 0.30
GPR3 P46089 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL19737437 0.77 DAO (0.50) DHFRSLC2A1KIF11ALDH1A1HSD17B10
SCHEMBL18000167 0.77 GAA (0.47) KIF11ALDH1A1HSD17B10HPGDAHR
SCHEMBL24371171 0.77 DHFR (0.42) DHFRSLC2A1KIF11ALDH1A1HSD17B10
SCHEMBL16380899 0.75 DAO (0.49) DHFRSLC2A1KIF11ALDH1A1HSD17B10
SCHEMBL16380970 0.75 DAO (0.49) DHFRSLC2A1KIF11ALDH1A1HSD17B10
SCHEMBL28194829 0.75 ADORA3 (0.33) KIF11CHRM4HTR7ALDH1A1HSD17B10
SCHEMBL24447564 0.75 RHEB (0.42) DHFRSLC2A1KIF11ALDH1A1HSD17B10
SCHEMBL27287066 0.75 DAO (0.38) KIF11CHRM4HTR7ALDH1A1HSD17B10
SCHEMBL16380895 0.75 DHFR (0.48) DHFRSLC2A1KIF11ALDH1A1HSD17B10
SCHEMBL24236481 0.72 MEN1 (0.50) DHFRSLC2A1

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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 DHFR 2241/4885SLC2A1 2023/4885KIF11 2621/4885

“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.