SCHEMBL3454228

SCHEMBL3454228

C[C@H]1CC[C@H](Oc2ccc(C(=O)CBr)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.54
PARP10 Q53GL7 1/20 0.46
PTPN1 P18031 4/20 0.43
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
EPHX2 P34913 4/20 0.41
MAP4K4 O95819 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL3451514 1.00 GSK3B (0.54) GSK3BPARP10PTPN1KMT2AGRIN1
SCHEMBL3451516 1.00 GSK3B (0.54) GSK3BPARP10PTPN1KMT2AGRIN1
SCHEMBL17873447 0.92 GSK3B (0.58) GSK3BPARP10PTPN1EPHX2MAP4K4
SCHEMBL3454901 0.81 SMN1; SMN2 (0.54) PARP10EPHX2MAP4K4HRH3ALDH1A1
SCHEMBL3453265 0.81 SMN1; SMN2 (0.54) PARP10EPHX2MAP4K4HRH3ALDH1A1
SCHEMBL13699366 0.81 ALDH1A1 (0.60) PARP10EPHX2ALDH1A1LMNACASP3
SCHEMBL9640923 0.78 HRH1 (0.43) PARP10PTPN1EPHX2HRH3
SCHEMBL17190314 0.77 ALDH1A1 (0.55) PARP10EPHX2MAP4K4ALDH1A1LMNA
SCHEMBL20326426 0.77 PARP10 (0.44) PARP10PTPN1KMT2AEPHX2MAP4K4
SCHEMBL22563077 0.75 EPHX2 (0.63) PARP10EPHX2ALDH1A1LMNACASP3

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 GSK3B 1238/4885PARP10 2619/4885PTPN1 1565/4885

“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.