SCHEMBL3407392

SCHEMBL3407392

CCCCCC[CH]CCC(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
TSHR P16473 4/20 0.39
ACE2 Q9BYF1 1/20 0.38
DNM1 Q05193 5/20 0.36
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 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
SCHEMBL11213034 0.91 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11657689 0.91 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8106905 0.91 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11188800 0.91 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22589018 0.91 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL19873145 0.91 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5942633 0.91 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4977381 0.89 LMNA (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL811663 0.87 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2892162 0.87 TSHR (0.36) ADH1BADH1CADH1AADH4ADH7

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
US-20180348129-A1 Nanofibril Materials for Highly Sensitive and Selective Sensing of Amines UNIVERSITY OF UTAH 2018-12-06 US disclosed
US-9823193-B2 Nanofibril materials for highly sensitive and selective sensing of amines UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-11-21 US disclosed
US-20130302902-A1 NANOFIBRIL MATERIALS FOR HIGHLY SENSITIVE AND SELECTIVE SENSING OF AMINES NATIONAL SCIENCE FOUNDATION 2013-11-14 US disclosed
US-8486708-B2 Perylene nanofiber fluorescent sensor for highly sensitive and selective sensing of amines UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-07-16 US disclosed
US-20100197039-A1 FLUORESCENT MATERIALS FOR HIGHLY SENSITIVE AND SELECTIVE SENSING OF AMINES AND NANOFIBRIL MATERIALS MADE THEREFROM UNIVERSITY OF UTAH RESEARCH FOUNDATION 2010-08-05 US disclosed
US-5100577-A FERROELECTRIC LIQUID CRYSTAL MIXTURES AND COMPOUNDS AS WELL AS ELECTRO-OPTICAL DEVICES EMPLOYING SAME HOFFMAN-LA ROCHE INC. (US) 1992-03-31 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-20180348129-A1 Nanofibril Materials for Highly Sensitive and Selective Sensing of Amines OR10J3, NTRK1, TRPA1 ADH1B 3730/4885ADH1C 1398/4885ADH1A 521/4885
US-20100197039-A1 FLUORESCENT MATERIALS FOR HIGHLY SENSITIVE AND SELECTIVE SENSING OF AMINES AND NANOFIBRIL MATERIALS MADE THEREFROM OR10J3, NTRK1, NEFM ADH1B 3151/4885ADH1C 2126/4885ADH1A 877/4885

“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.