SCHEMBL7120163

SCHEMBL7120163

C=C(C(=O)OCCCC)[C@@H](C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
PRKCA P17252 2/20 0.35
NAAA Q02083 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
FAAH O00519 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL9066690 0.85 TSHR (0.45) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9462040 0.82 ALDH1A1 (0.43) TSHRALDH1A1THRBTDP1SMN1; SMN2
SCHEMBL6200579 0.80 TSHR (0.53) TSHRALDH1A1HPGDATMTHRB
SCHEMBL17028805 0.80 ALDH1A1 (0.59) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL18915848 0.80 ALDH1A1 (0.59) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL5248798 0.79 TSHR (0.52) TSHRALDH1A1HPGDATMTHRB
SCHEMBL7123449 0.79 TSHR (0.52) TSHRALDH1A1HPGDATMTHRB
SCHEMBL7868028 0.78 TSHR (0.45) TSHRALDH1A1HPGDATMTHRB
SCHEMBL12799675 0.78 TSHR (0.39) TSHRTHRBTDP1POLBAPEX1
SCHEMBL6662257 0.77 TSHR (0.50) TSHRALDH1A1HPGDATMTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083225-A1 Organolipic substance NATIONAL BANK OF CANADA (CA) 2003-05-01 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-20030083225-A1 Organolipic substance SGMS2, SGMS1, CYP2S1 TSHR 1902/4885ALDH1A1 919/4885HPGD 2971/4885

“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.