SCHEMBL13449714

SCHEMBL13449714

CCCCOC(CC)COC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.45
▸ LPAR3 Q9UBY5 6/20 0.45
▸ LPAR2 Q9HBW0 3/20 0.45
▸ LPAR6 P43657 2/20 0.45
▸ LPAR4 Q99677 2/20 0.45
▸ LPAR5 Q9H1C0 2/20 0.45
▸ DNM1 Q05193 1/20 0.43
▸ CNR2 P34972 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ TSHR P16473 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ USP2 O75604 1/20 0.32
▸ TLR2 O60603 1/20 0.32

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
SCHEMBL26927738 0.87 LPAR1 (0.44) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL1938849 0.86 LPAR1 (0.49) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL15800638 0.85 LPAR6 (0.36) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL12459746 0.85 DNM1 (0.50) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL15468238 0.84 LPAR1 (0.40) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL18512626 0.84 DNM1 (0.42) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL27763683 0.83 TSHR (0.56) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL26927741 0.83 LPAR1 (0.44) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL26927636 0.81 LPAR1 (0.50) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL548775 0.81 CNR2 (0.52) LPAR1LPAR3LPAR2LPAR6LPAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090502-B2 Nanoimprint-mold release agent, surface treatment method, and nanoimprint mold SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-28 — — US disclosed
US-8536359-B2 Alkoxysilane compounds having fluoroalkyl group and method of preparing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-17 — — US disclosed
US-20120264964-A1 ALKOXYSILANE COMPOUNDS HAVING FLUOROALKYL GROUP AND METHOD OF PREPARING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-18 — — US disclosed
US-20120263816-A1 NANOIMPRINT-MOLD RELEASE AGENT, SURFACE TREATMENT METHOD, AND NANOIMPRINT MOLD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-18 — — 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-20120263816-A1 NANOIMPRINT-MOLD RELEASE AGENT, SURFACE TREATMENT METHOD, AND NANOIMPRINT MOLD ERG28, CYP51A1, PRMT1 LPAR1 1832/4885LPAR3 3637/4885LPAR2 3108/4885
US-20120264964-A1 ALKOXYSILANE COMPOUNDS HAVING FLUOROALKYL GROUP AND METHOD OF PREPARING THE SAME RFC1, AFF1, PCNA LPAR1 283/4885LPAR3 486/4885LPAR2 853/4885

“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.

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