SCHEMBL20340657

SCHEMBL20340657

O=C1N[C@H](Cc2ccc(-c3ccccc3)cc2)CC1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.40
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
NAAA Q02083 1/20 0.37
LMNA P02545 2/20 0.37
ABCC4 O15439 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
FAAH O00519 1/20 0.36
FFAR1 O14842 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
DAO P14920 1/20 0.35
CYP2D6 P10635 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
SCHEMBL18950480 1.00 CYP26A1 (0.40) CYP26A1ITGB3ITGA2BNAAALMNA
SCHEMBL12888152 0.86 CYP26A1 (0.37) CYP26A1ITGB3ITGA2BNAAALMNA
SCHEMBL18950479 0.80 LMNA (0.40) CYP26A1NAAALMNAABCC4GAA
SCHEMBL20072321 0.79 GRM2 (0.40) CYP26A1NAAALMNAABCC4GAA
SCHEMBL22295471 0.79 CYP26A1 (0.39) CYP26A1NAAALMNAABCC4GAA
SCHEMBL29074198 0.79 GRM2 (0.40) CYP26A1NAAALMNAABCC4GAA
SCHEMBL1908538 0.79 GRM2 (0.40) CYP26A1NAAALMNAABCC4GAA
SCHEMBL4440151 0.79 GRM2 (0.40) CYP26A1NAAALMNAABCC4GAA
SCHEMBL598403 0.79 GRM2 (0.40) CYP26A1NAAALMNAABCC4GAA
SCHEMBL28412417 0.79 GRM2 (0.40) CYP26A1NAAALMNAABCC4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011581-B2 Process for preparing 4-amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-03 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-10011581-B2 Process for preparing 4-amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid compound CYP4B1, P2RX5, P2RX6 CYP26A1 387/4885ITGB3 3845/4885ITGA2B 2112/4885

“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.