SCHEMBL5155679

SCHEMBL5155679

CCCOc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.43
HDAC4 P56524 10/20 0.43
HDAC1 Q13547 10/20 0.43
HDAC7 Q8WUI4 10/20 0.43
HDAC2 Q92769 10/20 0.43
HDAC10 Q969S8 10/20 0.43
HDAC11 Q96DB2 10/20 0.43
HDAC8 Q9BY41 10/20 0.43
HDAC6 Q9UBN7 10/20 0.43
HDAC9 Q9UKV0 10/20 0.43
HDAC5 Q9UQL6 10/20 0.43
MAPT P10636 3/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
TACR1 P25103 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL14557665 1.00 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557697 0.92 ICMT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14564862 0.92 ICMT (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557671 0.92 ICMT (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557641 0.90 TACR1 (0.48) MAPTTACR1MEN1KMT2ATP53
SCHEMBL14564814 0.90 TACR1 (0.48) MAPTTACR1MEN1KMT2ATP53
SCHEMBL5152171 0.90 MMP2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557645 0.88 TACR1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14159167 0.88 MAPT (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557643 0.88 TACR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 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
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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 (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 HDAC3 736/4885HDAC4 2582/4885HDAC1 1530/4885

“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.