SCHEMBL5149285

SCHEMBL5149285

COc1ccc(OC)c(-c2ccccc2C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 3/20 0.54
POLB P06746 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 1/20 0.53
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
ERN1 O75460 1/20 0.49

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
SCHEMBL14610550 0.88 HDAC4 (0.60) HDAC4HDAC2HDAC8CYP2D6CYP2C9
SCHEMBL5150983 0.87 SMN1; SMN2 (0.66) HDAC4HDAC2HDAC8CYP2D6CYP2C9
SCHEMBL536179 0.83 HTT (0.62) ALDH1A1HPGDKDM4EKMT2AAKR1C3
SCHEMBL17454033 0.83 SMN1; SMN2 (0.55) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL29263230 0.83 HPGD (0.58) CYP2D6ALDH1A1HPGDMAPTKDM4E
SCHEMBL8204969 0.82 RAB9A (0.54) CYP2D6CYP2C9ALDH1A1HPGDKDM4E
SCHEMBL9634001 0.82 HTT (0.61) ALDH1A1HPGDKDM4EKMT2AAKR1C3
SCHEMBL14397805 0.81 SMN1; SMN2 (0.58) ALDH1A1HPGDKDM4EPOLBMEN1
SCHEMBL8211021 0.81 ALDH1A1 (0.55) HDAC4HDAC2HDAC8CYP2D6CYP2C9
SCHEMBL16107035 0.80 SMN1; SMN2 (0.53) HPGDKDM4EPOLBMEN1KMT2A

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-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 HDAC4 2582/4885HDAC2 1250/4885HDAC8 1575/4885

“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.