SCHEMBL10165559

SCHEMBL10165559

C[C@@H](OCC1CO1)c1cccc(F)c1Br

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
BACE1 P56817 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL17220616 1.00 ALDH1A1 (0.37) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2477200 1.00 ALDH1A1 (0.37) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL10164617 0.87 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2478799 0.87 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL14813298 0.87 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL13263958 0.86 ALDH1A1 (0.39) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL6741809 0.85 ALDH1A1 (0.35) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL6743066 0.84 ALDH1A1 (0.36) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL17226939 0.84 ALDH1A1 (0.36) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2479685 0.84 P2RX7 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4

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-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 ALDH1A1 2584/4885TP53 3433/4885TSHR 314/4885

“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.