SCHEMBL14138652

SCHEMBL14138652

C[C@@H](O)c1ccccc1Oc1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.46
HTR2A P28223 6/20 0.44
SLC6A4 P31645 4/20 0.44
TTR P02766 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2A6 P11509 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 4/20 0.38
HTR2C P28335 2/20 0.38
DRD1 P21728 2/20 0.38
TYR P14679 1/20 0.38

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
SCHEMBL4554850 0.87 ALDH1A3 (0.49) ALDH1A3HTR2ASLC6A4TTRALDH1A1
SCHEMBL2356142 0.81 SLC6A4 (0.49) HTR2ASLC6A4ALDH1A1LMNAKMT2A
SCHEMBL14047222 0.80 HTR2A (0.66) HTR2ASLC6A4ALDH1A1LMNASMN1; SMN2
SCHEMBL15515907 0.80 SLC6A4 (0.47) HTR2ASLC6A4ALDH1A1LMNAKMT2A
SCHEMBL8311249 0.79 TTR (0.58) ALDH1A3TTRALDH1A1LMNACYP1A2
SCHEMBL14047199 0.79 TTR (0.59) TTRALDH1A1LMNACYP1A2CYP2C9
SCHEMBL4440523 0.77 P2RX3 (0.42) HTR2ASLC6A4ALDH1A1LMNACYP1A2
SCHEMBL13597306 0.76 CA1 (0.49) HTR2ASLC6A4ALDH1A1LMNAKDM4E
SCHEMBL1556957 0.76 CA1 (0.49) HTR2ASLC6A4ALDH1A1LMNAKDM4E
SCHEMBL25960695 0.76 TTR (0.64) ALDH1A3TTRALDH1A1LMNACYP1A2

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-20120301552-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2012-11-29 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-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL ALDH1A3 3729/4885HTR2A 1085/4885SLC6A4 1682/4885

“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.