SCHEMBL4602802

SCHEMBL4602802

COc1ccc(OC)c(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
STIM1 Q13586 1/20 0.58
ORAI1 Q96D31 1/20 0.58
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51

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
SCHEMBL8845578 0.88 HDAC4 (0.62) HDAC4HDAC2HDAC8STIM1ORAI1
SCHEMBL29651459 0.88 LMNA (0.62) HDAC4HDAC2HDAC8STIM1ORAI1
SCHEMBL1607173 0.88 LMNA (0.62) HDAC4HDAC2HDAC8STIM1ORAI1
SCHEMBL4171948 0.88 CYP2C8 (0.69) LMNAALDH1A1MAPTMEN1NPC1
SCHEMBL15266493 0.85 THRA (0.53) HDAC4HDAC2HDAC8STIM1ORAI1
SCHEMBL2406330 0.84 PTGER1 (0.59) ALDH1A1HPGDCYP3A4CYP2C9MRGPRX4
SCHEMBL4334719 0.84 LMNA (0.54) LMNARAB9AMRGPRX4PDE4APDE4B
SCHEMBL12170904 0.84 CA1 (0.64) STIM1ORAI1ALDH1A1MAPTHPGD
SCHEMBL29788029 0.83 ALDH1A1 (0.63) HDAC4HDAC2HDAC8STIM1ORAI1
SCHEMBL2039734 0.83 ALDH1A1 (0.63) HDAC4HDAC2HDAC8STIM1ORAI1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
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.