SCHEMBL3453265

SCHEMBL3453265

CC(=O)c1ccc(OC2CCC(C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
PARP10 Q53GL7 1/20 0.51
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
EPHX2 P34913 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAP4K4 O95819 1/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP3 P42574 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
ACACB O00763 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
STS P08842 1/20 0.42

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
SCHEMBL3454901 1.00 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPARP10MAPTHPGD
SCHEMBL17873483 0.93 LMNA (0.61) SMN1; SMN2LMNAPARP10MAPTHPGD
SCHEMBL30837228 0.88 MAP4K4 (0.56) SMN1; SMN2LMNAPARP10MAPTHPGD
SCHEMBL13699366 0.86 ALDH1A1 (0.60) LMNAPARP10EPHX2SENP8SENP6
SCHEMBL10148441 0.86 LMNA (0.58) SMN1; SMN2LMNAPARP10MAPTHPGD
SCHEMBL17053655 0.86 HRH3 (0.55) SMN1; SMN2LMNAPARP10RAB9AMAP4K4
SCHEMBL14505028 0.86 PARP10 (0.64) SMN1; SMN2LMNAPARP10MAPTHPGD
SCHEMBL10188555 0.85 LMNA (0.53) SMN1; SMN2LMNAPARP10MAPTHPGD
SCHEMBL9640923 0.83 HRH1 (0.43) SMN1; SMN2PARP10MAPTEPHX2ACACB
SCHEMBL17190314 0.82 ALDH1A1 (0.55) LMNAPARP10EPHX2MAP4K4SENP8

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
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R SMN1; SMN2 3982/4885LMNA 3752/4885PARP10 2619/4885

“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.