SCHEMBL308987

SCHEMBL308987

C=CCCCC(CCC)CCC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5859401 0.95 TSHR (0.56) TSHRALDH1A1TDP1LMNACYP3A4
SCHEMBL25181783 0.93 TSHR (0.56) TSHRALDH1A1TDP1LMNACYP3A4
SCHEMBL9718823 0.93 TSHR (0.54) TSHRALDH1A1LMNACYP3A4
SCHEMBL9718866 0.91 TSHR (0.60) TSHRALDH1A1LMNA
SCHEMBL25185574 0.91 TSHR (0.60) TSHRALDH1A1LMNA
SCHEMBL25182455 0.91 TSHR (0.58) TSHRALDH1A1LMNACYP3A4
SCHEMBL25172412 0.91 TSHR (0.58) TSHRALDH1A1LMNACYP3A4
SCHEMBL25182470 0.91 TSHR (0.58) TSHRALDH1A1LMNACYP3A4
SCHEMBL25178043 0.91 TSHR (0.50) TSHRALDH1A1TDP1CYP3A4
SCHEMBL1907970 0.90 TSHR (0.62) TSHRALDH1A1TDP1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981859-B1 PREPARATION OF DELMOPINOL SINCLAIR PHARMACEUTICALS LTD (GB) 2012-10-31 EP disclosed
US-8093398-B2 Preparation of delmopinol Sinclair Pharmaceticals Limited (GB) 2012-01-10 US disclosed
US-20110082301-A1 Preparation of Delmopinol COMELY ALEXANDER 2011-04-07 US disclosed
US-7893258-B2 Preparation of delmopinol SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-02-22 US disclosed
US-20090036677-A1 Preparation of Delmopinol MAELOR LABORATORIES LIMITED (GB) 2009-02-05 US disclosed
EP-1981859-A2 PREPARATION OF DELMOPINOL Sinclair Pharmaceuticals Limited (GB) 2008-10-22 EP disclosed
WO-2007091009-A2 PREPARATION OF DELMOPINOL SINCLAIR PHARMACEUTICALS LIMITED (GB) 2007-08-16 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-20110082301-A1 Preparation of Delmopinol CBR3, AVPR2, C1S TSHR 466/4885ALDH1A1 2640/4885TDP1 4424/4885
US-20090036677-A1 Preparation of Delmopinol AVPR2, CBR3, C1S TSHR 395/4885ALDH1A1 2718/4885TDP1 4465/4885

“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.