SCHEMBL30455997

SCHEMBL30455997

Clc1ccc(C2COC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.47
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 1/20 0.41
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
SRD5A1 P18405 2/20 0.39
SLC2A1 P11166 1/20 0.39
ADRA1A P35348 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
SLC18A3 Q16572 1/20 0.38
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL15300702 0.79 HTR3A (0.47) HTR3ASLC6A2SLC6A3TAAR1ALDH1A1
SCHEMBL25247362 0.76 HTR3A (0.48) HTR3ASLC6A2SLC6A3ALDH1A1POLB
SCHEMBL315186 0.76 HTR3A (0.58) HTR3ASLC6A2SLC6A3ALDH1A1POLB
SCHEMBL12987805 0.75 ESR2 (0.52) ALOX12CYP3A4CYP2C9
SCHEMBL10185051 0.75 ALOX12 (0.42) ALDH1A1ALOX12HTTSMN1; SMN2LMNA
SCHEMBL12987346 0.75 KDM1A (0.43) SLC6A2SLC6A3TAAR1SMN1; SMN2CYP2A6
SCHEMBL10185052 0.75 MEN1 (0.40) ALDH1A1SMN1; SMN2HSD17B10LMNASLC18A3
SCHEMBL18253201 0.75 HPGD (0.46) ALDH1A1HTTSMN1; SMN2MAPTHPGD
SCHEMBL900117 0.74 HTR3A (0.50) HTR3ASLC6A2SLC6A3ALDH1A1POLB
SCHEMBL8212527 0.74 TSHR (0.52) TAAR1LMNASLC18A3CYP1A2CYP2D6

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-12520844-B2 Triazine and pyrimidine (thio)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2026-01-13 US disclosed
WO-2025007113-A2 MITOCHONDRIAL COMPLEX I INHIBITORS WITH REDUCED PHOSPHODIESTERASE INHIBITION OHIO STATE INNOVATION FOUNDATION (US) 2025-01-02 WO disclosed
US-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-15 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-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS TPMT, TYMP, TPI1 HTR3A 3629/4885SLC6A2 3359/4885SLC6A3 3217/4885

“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.