SCHEMBL4490445

SCHEMBL4490445

COC(=O)C(CC(=O)O)Cc1cc(C)c(OCc2ccccc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
CPA1 P15085 2/20 0.40

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
SCHEMBL4490443 1.00 SMPD1 (0.43) SMPD1HDAC1HDAC8HDAC6FFAR4
SCHEMBL4490962 0.92 LMNA (0.46) FFAR4LMNAHPGDKMT2ACPA1
SCHEMBL4490964 0.92 LMNA (0.46) FFAR4LMNAHPGDKMT2ACPA1
SCHEMBL3525198 0.91 CPA1 (0.51) FFAR4LMNAHPGDMEN1KMT2A
SCHEMBL3525202 0.91 CPA1 (0.51) FFAR4LMNAHPGDMEN1KMT2A
SCHEMBL2088358 0.85 LMNA (0.44) SMPD1HDAC1HDAC8HDAC6FFAR4
SCHEMBL3522155 0.81 CPA1 (0.59) FFAR4LMNAHPGDKMT2ACPA1
SCHEMBL3522153 0.81 CPA1 (0.59) FFAR4LMNAHPGDKMT2ACPA1
SCHEMBL2086121 0.81 FFAR4 (0.43) SMPD1HDAC1HDAC8HDAC6FFAR4
SCHEMBL2086119 0.81 FFAR4 (0.43) SMPD1HDAC1HDAC8HDAC6FFAR4

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-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SMPD1 2245/4885HDAC1 2048/4885HDAC8 4107/4885

“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.