SCHEMBL11954843

SCHEMBL11954843

CCCCC[C@H]1OC(=O)C(C)=C1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
ABHD16A O95870 1/20 0.41
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.36
FASN P49327 1/20 0.36
GRM2 Q14416 2/20 0.35
PTPN1 P18031 2/20 0.35
MAPT P10636 1/20 0.35
ACP1 P24666 1/20 0.35
CDC25B P30305 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTPN2 P17706 1/20 0.35
DUSP3 P51452 1/20 0.35
HPSE Q9Y251 1/20 0.35

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
SCHEMBL3104384 0.81 CES2 (0.45) CES2ABHD16AMAOAMAOBCYP1A2
SCHEMBL7559916 0.77 CES2 (0.52) CES2ABHD16AMAOAMAOBCYP1A2
SCHEMBL7563251 0.77 CES2 (0.49) CES2ABHD16AMAOAMAOBCYP1A2
SCHEMBL16639646 0.76 ABHD16A (0.46) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL18784040 0.76 ABHD16A (0.46) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL9542709 0.76 CES2 (0.40) CES2ABHD16AMAOAMAOBCYP1A2
SCHEMBL18784042 0.75 ABHD16A (0.48) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL15598670 0.75 ABHD16A (0.48) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL5674415 0.75 ABHD16A (0.48) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL16639647 0.75 ABHD16A (0.48) CES2ABHD16ACYP1A2POLBFASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 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-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE PTK6, DCLK2, ERBB2 CES2 3258/4885ABHD16A 1290/4885MAOA 1684/4885

“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.