SCHEMBL29344211

SCHEMBL29344211

Oc1c(F)ccc2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
DHODH Q02127 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DAO P14920 1/20 0.36
DDO Q99489 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6568133 0.84 CA3 (0.48) CA3CA6CA5ACA9CA14
SCHEMBL30430319 0.78 DHODH (0.38) CA3CA6CA5ACA9CA14
SCHEMBL12819526 0.78 PTGS1 (0.40) CA3CA6CA5ACA9CA14
SCHEMBL29291168 0.78 CYP2A6 (0.45) CYP1A2CYP2A6L3MBTL1MEN1NPC1
SCHEMBL30377849 0.77 CYP1A2 (0.52) CA3CA6CA5ACA9CA14
SCHEMBL8591811 0.76 CA3 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL590476 0.74 PTPN22 (0.60) CYP1A2CYP2A6L3MBTL1MEN1NPC1
SCHEMBL25229884 0.74 HSD17B14 (0.43) CYP1A2CYP2A6MEN1NPC1RAB9A
SCHEMBL12819274 0.74 ERN1 (0.44) DHODHKDM4EALDH1A1ESR1ESR2
SCHEMBL20967459 0.73 CYP19A1 (0.44) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CA3 3828/4885CA6 2250/4885CA5A 2355/4885

“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.