SCHEMBL20089588

SCHEMBL20089588

CCCOCCOC(COCCOCC)COCC(COCCOCC)OCCOCCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.32
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL16473876 0.94 HSD17B10 (0.44) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL23408864 0.91 HSD17B10 (0.46) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL9657338 0.89 LPAR1 (0.39) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL14616845 0.87 HSD17B10 (0.43) HSD17B10TDP1LPAR1LPAR3LPAR2
Ether SCHEMBL11844631 0.85 HSD17B10 (0.44) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL14616857 0.84 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL14616848 0.84 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL12410368 0.84 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL18281575 0.83 LPAR1 (0.38) LPAR1LPAR3LPAR2ALDH1A1TSHR
SCHEMBL14616851 0.83 HSD17B10 (0.40) HSD17B10TDP1LPAR1LPAR3LPAR2

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-20180110867-A1 CONJUGATE OF POLYETHYLENE GLYCOL AND ANESTHETIC, AND PREPARATION METHOD THEREOF JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2018-04-26 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-20180110867-A1 CONJUGATE OF POLYETHYLENE GLYCOL AND ANESTHETIC, AND PREPARATION METHOD THEREOF OPRL1, OGFR, F12 HSD17B10 1937/4885TDP1 4303/4885LPAR1 289/4885

“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.