SCHEMBL16213396

SCHEMBL16213396

CC(C)=CCC(CN)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 7/20 0.37
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
ADRB2 P07550 1/20 0.33
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 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
SCHEMBL16707821 0.83 ALDH1A1 (0.41) TAAR1ALDH1A1TSHRKMT2AMEN1
SCHEMBL20362568 0.79 TSHR (0.38) TAAR1ALDH1A1TSHRKMT2AMEN1
SCHEMBL16213117 0.75 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL4937013 0.75 TAAR1 (0.56) TAAR1ALDH1A1TSHRKIF11
SCHEMBL16213089 0.75 ALDH1A1 (0.46) TAAR1ALDH1A1TSHRKMT2AMEN1
SCHEMBL1220936 0.75 HTT (0.50) TAAR1ALDH1A1TSHRKMT2AMEN1
SCHEMBL17651676 0.74 MEN1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1HTT
SCHEMBL4398712 0.72 TAAR1 (0.45) TAAR1KMT2AMEN1KIF11MAPT
SCHEMBL4699693 0.72 ALDH1A1 (0.44) TAAR1ALDH1A1TSHRKMT2AMEN1
SCHEMBL2064836 0.71 TAAR1 (0.48) TAAR1TSHRKMT2AKIF11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
WO-2014179648-A2 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-11-06 WO disclosed
WO-2014179648-A2 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-11-06 WO 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-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES HAO2, DUOX2, PDK2 TAAR1 3798/4885ALDH1A1 487/4885TSHR 4706/4885
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes HAO2, DUOX2, PDK2 TAAR1 3798/4885ALDH1A1 487/4885TSHR 4706/4885

“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.