SCHEMBL14624779

SCHEMBL14624779

CNCc1ccc(C=O)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
SOS1 Q07889 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 6/20 0.35
POLB P06746 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CHRM2 P08172 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL8426873 0.78 ALDH1A1 (0.55) ALDH1A1TSHRL3MBTL1HTTGAA
SCHEMBL18163838 0.78 CD274 (0.53) HTTCD274SOS1CYP2D6CYP2A6
SCHEMBL9303004 0.75 CHRM2 (0.50) ALDH1A1TSHRL3MBTL1HTTCYP2D6
Aes-103 SCHEMBL1248422 0.75 ALDH1A1 (0.96) ALDH1A1TSHRL3MBTL1HTTGAA
SCHEMBL8640022 0.75 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1HTTGAA
SCHEMBL19415840 0.74 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1HTTGAA
SCHEMBL18355482 0.73 KMT2A (0.46) L3MBTL1HTTPOLBSMN1; SMN2APOBEC3A
SCHEMBL28411413 0.72 ALDH1A1 (0.63) ALDH1A1TSHRL3MBTL1HTTGAA
SCHEMBL669513 0.72
SCHEMBL13226970 0.72

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-20230348409-A1 METAL CATALYST AND HYDROGEN GAS FREE APPROACHES FOR SELECTIVE REDUCTION OF ALDEHYDE TO METHYL GROUP OF DIFFERENT SUBSTITUTED FURANS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-02 US disclosed
WO-2007001975-A1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 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 (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-20230348409-A1 METAL CATALYST AND HYDROGEN GAS FREE APPROACHES FOR SELECTIVE REDUCTION OF ALDEHYDE TO METHYL GROUP OF DIFFERENT SUBSTITUTED FURANS GRHPR, ORMDL3, ORC3 ALDH1A1 62/4885TSHR 3986/4885L3MBTL1 1285/4885

“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.