SCHEMBL6034890

SCHEMBL6034890

COc1ccccc1CCN(C)CCCCC(=O)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 7/20 0.48
RXFP1 Q9HBX9 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 3/20 0.47
USP2 O75604 1/20 0.47
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL6034275 0.99 ALDH1A1 (0.53) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4860962 0.99 ALDH1A1 (0.51) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4858215 0.98 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E
SCHEMBL6034277 0.92 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E
SCHEMBL6035104 0.91 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4856892 0.91 ALDH1A1 (0.51) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4861165 0.90 ALDH1A1 (0.53) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E
SCHEMBL4858780 0.89 ALDH1A1 (0.49) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E
SCHEMBL6034293 0.88 CASP3 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTRXFP1
SCHEMBL6035021 0.88 ALDH1A1 (0.58) ALDH1A1ALOX15TSHRSMN1; SMN2KDM4E

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885ALOX15 1852/4885TSHR 4026/4885

“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.