SCHEMBL12412476

SCHEMBL12412476

CCCCOCC(COCC(COCC(COCCCC)OCCCC)OCCCC)OCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.55
LPAR3 Q9UBY5 7/20 0.55
LPAR2 Q9HBW0 4/20 0.55
DNM1 Q05193 1/20 0.45
TLR2 O60603 3/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.41
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
PLA2G2A P14555 3/20 0.40

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
SCHEMBL2550954 0.97 LPAR1 (0.56) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL9545092 0.91 LPAR1 (0.66) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL21003 0.90 LPAR1 (0.65) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL10028014 0.89 LPAR1 (0.51) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL12047469 0.89 LPAR1 (0.51) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL19068460 0.89 LPAR1 (0.51) LPAR1LPAR3LPAR2TLR2TSHR
SCHEMBL4204833 0.88 LPAR1 (0.68) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL303128 0.88 LPAR1 (0.68) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL4879843 0.88 LPAR1 (0.68) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL4294185 0.88 LPAR1 (0.68) LPAR1LPAR3LPAR2DNM1TLR2

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-9517278-B2 Compound and photoacoustic imaging contrast medium containing the compound CANON KABUSHIKI KAISHA (JP) 2016-12-13 US disclosed
US-20150165071-A1 COMPOUND AND PHOTOACOUSTIC IMAGING CONTRAST MEDIUM CONTAINING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-06-18 US disclosed
US-20110165112-A1 POLYMER CONJUGATES OF C-PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 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 (2 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-20110165112-A1 POLYMER CONJUGATES OF C-PEPTIDES IAPP, GCG, INSR LPAR1 3776/4885LPAR3 2251/4885LPAR2 4062/4885
US-20150165071-A1 COMPOUND AND PHOTOACOUSTIC IMAGING CONTRAST MEDIUM CONTAINING THE COMPOUND CLTB, PAM, CLTA LPAR1 282/4885LPAR3 297/4885LPAR2 337/4885

“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.