SCHEMBL6839558

SCHEMBL6839558

CC(O)COC(CO)CC(O)COCCO

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL4595368 0.91 TDP1 (0.49) TDP1HSD17B10USP2
SCHEMBL5482029 0.81 TDP1 (0.38) TDP1HSD17B10USP2ALDH1A1MAPK1
SCHEMBL6226120 0.80 TDP1 (0.42) TDP1HSD17B10USP2ALDH1A1TSHR
SCHEMBL3894074 0.76 TDP1 (0.36) TDP1HSD17B10USP2ALDH1A1MAPK1
Propylene Glycol SCHEMBL8462307 0.75 USP2 (0.53) TDP1HSD17B10USP2ALDH1A1TSHR
SCHEMBL11592589 0.75 HSD17B10 (0.43) TDP1HSD17B10USP2ALDH1A1TSHR
SCHEMBL16265139 0.75 HSD17B10 (0.60) TDP1HSD17B10USP2ALDH1A1TSHR
SCHEMBL3473625 0.75 TDP1 (0.43) TDP1
Propylene Glycol SCHEMBL8327836 0.75 HSD17B10 (0.58) TDP1HSD17B10USP2ALDH1A1TSHR
SCHEMBL8506082 0.74 TDP1 (0.47) TDP1HSD17B10ALDH1A1TSHRMAPK1

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-20040053788-A1 Herbicide potentiators KAO CORPORATION (JP) 2004-03-18 US disclosed
WO-2003070795-A1 COPOLYMERS COMPRISING ISOBUTYLENE TYPE AND ACRYLATE TYPE MONOMERS PPG INDUSTRIES OHIO, INC. (US) 2003-08-28 WO disclosed
US-6383641-B1 CURED INTERIOR LAYER FROM POLYFUNCTIONAL COMPOUND; EXTERIOR SILICA COATING CURED FROM POLYSILAZANE; WEAR RESISTANCE, WEATHERPROOF ASAHI GLASS COMPANY LTD. (JP) 2002-05-07 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-20040053788-A1 Herbicide potentiators DDT, CYP4X1, HPD TDP1 2466/4885HSD17B10 267/4885USP2 2751/4885

“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.