SCHEMBL14557643

SCHEMBL14557643

CCCOc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL14557641 0.94 TACR1 (0.48) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL14564814 0.94 TACR1 (0.48) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL14557645 0.94 TACR1 (0.46) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL14557686 0.91 ICMT (0.44) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL14564875 0.90 ITGB2 (0.49) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL14557654 0.90 ITGB2 (0.49) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL14159167 0.89 MAPT (0.47) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL14557662 0.89 TACR1 (0.48) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL14564815 0.89 TACR1 (0.48) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL14557619 0.88 TACR1 (0.49) TACR1MAPTKDM4EMEN1ALDH1A1

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R TACR1 87/4885MAPT 4047/4885KDM4E 2399/4885

“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.