SCHEMBL892111

SCHEMBL892111

[CH2]CCCC(CCCCC)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.38
CYP1A2 P05177 1/20 0.36
EPHX1 P07099 7/20 0.33
SIGMAR1 Q99720 2/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL1679990 0.95 SHBG (0.36) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL27993178 0.94 SHBG (0.39) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL5710495 0.91 SHBG (0.36) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL2689574 0.91 SHBG (0.39) SHBGCYP1A2EPHX1
SCHEMBL11677040 0.90 SHBG (0.44) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL11675599 0.88 SHBG (0.43) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL314955 0.88 SHBG (0.43) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL27939506 0.88 SHBG (0.43) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL8011138 0.88 SHBG (0.43) SHBGCYP1A2EPHX1SIGMAR1TSHR
SCHEMBL16109513 0.88 SHBG (0.43) SHBGCYP1A2EPHX1SIGMAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066065-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
US-9261783-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-16 US disclosed
WO-2015067450-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO disclosed
US-8697903-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-15 US disclosed
US-20140051024-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-20 US disclosed
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-05 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-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID ARF1, FFAR3, RFC3 SHBG 4601/4885CYP1A2 3069/4885EPHX1 263/4885

“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.