SCHEMBL4355698

SCHEMBL4355698

CCCCCCCCCCCC#CCCCCC=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
FAAH O00519 2/20 0.64
TRPV1 Q8NER1 2/20 0.64
PTPN7 P35236 5/20 0.50
HMGCR P04035 4/20 0.50
RECQL P46063 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
EPHX1 P07099 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 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
SCHEMBL19432892 1.00 TSHR (0.73) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL2734292 1.00 TSHR (0.73) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL28013202 1.00 TSHR (0.73) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL2734169 1.00 TSHR (0.73) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL4384813 1.00 TSHR (0.73) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL2734276 0.95 TSHR (0.65) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL1300728 0.95 TSHR (0.65) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL2734465 0.94 TSHR (0.64) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL10397635 0.91 TSHR (0.67) TSHRFAAHTRPV1PTPN7HMGCR
SCHEMBL10398213 0.91 TSHR (0.67) TSHRFAAHTRPV1PTPN7HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 US claimed
WO-2023141207-A1 ESTERS OF 8-METHYL-8-AZABICYCLO[3.2.1] OCTAN-3-YL 3-HYDROXY-2-PHENYLPROPANOATE CLOUDBREAK THERAPEUTICS, LLC (US) 2023-07-27 WO disclosed
US-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE HTT, NLN, SNCA TSHR 2878/4885FAAH 4423/4885TRPV1 4807/4885

“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.