SCHEMBL4879841

SCHEMBL4879841

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C]=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.50
PTPN7 P35236 4/20 0.44
HMGCR P04035 2/20 0.44
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DNM1 Q05193 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18911577 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL157361 1.00
SCHEMBL1332658 1.00
SCHEMBL154927 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL15978 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL9234866 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL177432 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL371425 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL6942814 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL
SCHEMBL18911556 1.00 TSHR (0.50) TSHRTHRBPTPN7HMGCRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044462-A1 STABILIZED TRANSDERMAL BUPROPION PREPARATIONS COLLEGIUM PHARMACEUTICAL, INC. DELAWARE 2008-02-21 US claimed
WO-2007117581-A2 STABILIZED TRANSDERMAL BUPROPION PREPARATIONS COLLEGIUM PHARMACEUTICAL, INC. (US) 2007-10-18 WO claimed
US-20070116757-A1 Methylene Blue Derivatives COLLEGIUM PHARMACEUTICAL, INC. 2007-05-24 US claimed
WO-2007056439-A1 SALTS OF METHYLENE BLUE AND ITS DERIVATIVES COLLEGIUM PHARMACEUTICAL, INC. (US) 2007-05-18 WO claimed
US-20080044462-A1 STABILIZED TRANSDERMAL BUPROPION PREPARATIONS COLLEGIUM PHARMACEUTICAL, INC. DELAWARE 2008-02-21 US disclosed
WO-2007117581-A2 STABILIZED TRANSDERMAL BUPROPION PREPARATIONS COLLEGIUM PHARMACEUTICAL, INC. (US) 2007-10-18 WO disclosed
US-20070116757-A1 Methylene Blue Derivatives COLLEGIUM PHARMACEUTICAL, INC. 2007-05-24 US disclosed
WO-2007056439-A1 SALTS OF METHYLENE BLUE AND ITS DERIVATIVES COLLEGIUM PHARMACEUTICAL, INC. (US) 2007-05-18 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 (2 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-20070116757-A1 Methylene Blue Derivatives ACMSD, SI, HTR2B TSHR 4306/4885THRB 3056/4885PTPN7 4473/4885
US-20080044462-A1 STABILIZED TRANSDERMAL BUPROPION PREPARATIONS BDNF, FFAR4, FFAR2 TSHR 1885/4885THRB 1535/4885PTPN7 2516/4885

“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.