SCHEMBL4879845

SCHEMBL4879845

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
FAAH O00519 2/20 0.84
TRPV1 Q8NER1 2/20 0.84
ALDH1A1 P00352 2/20 0.56
EPHX1 P07099 1/20 0.55
ADH1B P00325 1/20 0.55
ADH1C P00326 1/20 0.55
ADH1A P07327 1/20 0.55
ADH4 P08319 1/20 0.55
ADH7 P40394 1/20 0.55
HIF1A Q16665 1/20 0.53
THRB P10828 1/20 0.50
EP300 Q09472 1/20 0.46
DNM1 Q05193 1/20 0.45

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
Tridecanal SCHEMBL38928 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
SCHEMBL9234870 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL2540 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Undecanal SCHEMBL22333 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Undecanal SCHEMBL2684955 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
SCHEMBL120789 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL7728978 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Heptanal SCHEMBL10533943 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL1872948 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Tetradecanal SCHEMBL18604 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1

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 4306/4885FAAH 412/4885TRPV1 300/4885
US-20080044462-A1 STABILIZED TRANSDERMAL BUPROPION PREPARATIONS BDNF, FFAR4, FFAR2 TSHR 1885/4885FAAH 126/4885TRPV1 207/4885

“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.