SCHEMBL5897591

SCHEMBL5897591

COC(=O)C1C(=O)CC2CCCCC21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 3/20 0.36
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.32
DNTT P04053 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL1874741 0.97 CYP1A2 (0.39) CYP1A2HIF1AALDH1A1SMN1; SMN2POLB
SCHEMBL5897138 0.85 CYP1A2 (0.38) CYP1A2HIF1AALDH1A1SMN1; SMN2POLB
SCHEMBL6559191 0.81 CYP1A2 (0.36) CYP1A2HIF1AALDH1A1SMN1; SMN2POLB
SCHEMBL28540639 0.80 THRB (0.30) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL9730177 0.79 ALDH1A1 (0.46) CYP1A2HIF1AALDH1A1SMN1; SMN2TSHR
SCHEMBL1869315 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL9729462 0.79 ALDH1A1 (0.40) CYP1A2HIF1AALDH1A1TSHRHTT
SCHEMBL9636452 0.79 ALDH1A1 (0.40) CYP1A2HIF1AALDH1A1TSHRHTT
SCHEMBL16499308 0.75 ALDH1A1 (0.41) CYP1A2HIF1AALDH1A1SMN1; SMN2TSHR
SCHEMBL16512558 0.75 ALDH1A1 (0.41) CYP1A2HIF1AALDH1A1SMN1; SMN2TSHR

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-7038087-B2 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-02 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 EP 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-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 CYP1A2 296/4885HIF1A 2117/4885ALDH1A1 22/4885

“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.