SCHEMBL3781584

SCHEMBL3781584

CCCCCCC(CCCC)COC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.53
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
CA2 P00918 3/20 0.47
CA1 P00915 1/20 0.47
LMNA P02545 3/20 0.45
PLA2G2C Q5R387 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PLA2G2A P14555 1/20 0.43
ABCB1 P08183 1/20 0.42
RECQL P46063 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL3783555 0.98 ZDHHC7 (0.55) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL18856337 0.98 ZDHHC7 (0.55) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL8508059 0.92 TSHR (0.53) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL27008512 0.90 PRSS1 (0.53) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL29240282 0.90 PRSS1 (0.53) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL2990536 0.90 PRSS1 (0.53) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL26633470 0.90 PRSS1 (0.53) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL544818 0.87 CYP3A4 (0.66) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL13875477 0.87 CYP3A4 (0.66) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL3757245 0.86 ZDHHC7 (0.50) ZDHHC7TSHRCYP3A4ATMTDP1

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-20100331565-A1 Dialkyl Carbonates of Branched Alcohols and their Use COGNIS IP MANAGEMENT GMBH (DE) 2010-12-30 US claimed
US-10544086-B2 Dialkyl carbonates of branched alcohols and their use COGNIS IP MANAGEMENT GMBH (DE) 2020-01-28 US disclosed
US-20170260123-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE COGNIS IP MANAGEMENT GMBH (DE) 2017-09-14 US disclosed
US-20100331565-A1 Dialkyl Carbonates of Branched Alcohols and their Use COGNIS IP MANAGEMENT GMBH (DE) 2010-12-30 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 (3 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-10544086-B2 Dialkyl carbonates of branched alcohols and their use ADH1C, ADH1A, GALK1 ZDHHC7 2946/4885TSHR 3848/4885CYP3A4 997/4885
US-20170260123-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE ADH1C, ADH1A, GALK1 ZDHHC7 2946/4885TSHR 3848/4885CYP3A4 997/4885
US-20100331565-A1 Dialkyl Carbonates of Branched Alcohols and their Use GALK1, BCKDK, ADH1C ZDHHC7 2262/4885TSHR 3331/4885CYP3A4 1390/4885

“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.