SCHEMBL4145231

SCHEMBL4145231

COc1ccccc1C#Cc1ccc(OC(C)C)c(C(=O)NC(C)(C(=O)O)C(c2c[nH]c3ccccc23)N(C(=O)c2cc(C#Cc3ccccc3OC)ccc2OC(C)C)C(C)(CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
TACR1 P25103 4/20 0.36
CYP2D6 P10635 3/20 0.34
KMT2A Q03164 5/20 0.33
MAPT P10636 3/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 4/20 0.33
PTGS2 P35354 1/20 0.33
SLC22A1 O15245 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL13904515 0.83 TACR1 (0.41) MMP2MMP9TACR1CYP2D6KMT2A
SCHEMBL3953038 0.83 TACR1 (0.41) MMP2MMP9TACR1CYP2D6KMT2A
SCHEMBL4145234 0.81 TACR1 (0.42) MMP2MMP9TACR1CYP2D6KMT2A
SCHEMBL4062789 0.80 TACR1 (0.44) MMP2MMP9TACR1CYP2D6KMT2A
SCHEMBL13904509 0.76 MMP9 (0.43) MMP2MMP9TACR1CYP2D6KMT2A
SCHEMBL3947792 0.76 MMP9 (0.43) MMP2MMP9TACR1CYP2D6KMT2A
SCHEMBL4632722 0.75 ITGB2 (0.41) MMP2MMP9TACR1KMT2AMAPT
SCHEMBL4633717 0.75 HDAC3 (0.44) MMP2MMP9TACR1KMT2AMAPT
SCHEMBL4632690 0.75 HDAC3 (0.44) MMP2MMP9TACR1KMT2AMAPT
SCHEMBL4737837 0.74 ITGB2 (0.43) MMP2MMP9TACR1KMT2AMAPT

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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MMP2 3861/4885MMP9 4077/4885TACR1 167/4885

“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.