SCHEMBL11932112

SCHEMBL11932112

CC(C)(C)OC(=O)C1(Cc2cccc(NC(=O)C(c3ccc(Cl)cc3Cl)C3CCCC3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
ACKR3 P25106 11/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
USP30 Q70CQ3 1/20 0.37
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11932110 0.92 ACKR3 (0.41) PTGESACKR3L3MBTL1USP30SSTR1
SCHEMBL11932108 0.89 PTGES (0.49) PTGESACKR3USP30MEN1LMNA
SCHEMBL10006303 0.88 PTGES (0.46) PTGESACKR3MEN1LMNAKMT2A
SCHEMBL11932111 0.86 SLC6A3 (0.46) PTGESACKR3USP30MEN1LMNA
SCHEMBL10006355 0.83 HTR1E (0.50) PTGESACKR3USP30SSTR1SSTR4
SCHEMBL10006323 0.82 HTR1E (0.43) PTGESACKR3USP30MEN1LMNA
SCHEMBL11932102 0.82 HTR1E (0.43) PTGESACKR3USP30SSTR1SSTR4
SCHEMBL11932103 0.82 HTR1E (0.43) PTGESACKR3USP30MEN1LMNA
SCHEMBL1178777 0.81 PTGES (0.42) PTGESACKR3MEN1ALDH1A1LMNA
SCHEMBL11932107 0.81 HTR1E (0.42) PTGESACKR3MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 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-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA PTGES 1094/4885ACKR3 3131/4885L3MBTL1 1602/4885

“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.