SCHEMBL3789353

SCHEMBL3789353

C/C=C/C=C/COC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
DGKA P23743 2/20 0.55
PAM P19021 2/20 0.50
MAPT P10636 1/20 0.47
LMNA P02545 3/20 0.46
DNM1 Q05193 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FASN P49327 1/20 0.45
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKCA P17252 1/20 0.43

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
SCHEMBL19924320 1.00 TSHR (0.60) TSHRDGKAPAMMAPTLMNA
SCHEMBL3789355 1.00 TSHR (0.60) TSHRDGKAPAMMAPTLMNA
SCHEMBL3786088 0.98 TSHR (0.58) TSHRDGKAPAMMAPTLMNA
SCHEMBL3788346 0.98 TSHR (0.58) TSHRDGKAPAMMAPTLMNA
SCHEMBL3786091 0.98 TSHR (0.58) TSHRDGKAPAMMAPTLMNA
SCHEMBL329741 0.98 TSHR (0.58) TSHRDGKAPAMMAPTLMNA
SCHEMBL3788271 0.98 TSHR (0.58) TSHRDGKAPAMMAPTLMNA
SCHEMBL3790056 0.98 TSHR (0.58) TSHRDGKAPAMMAPTLMNA
SCHEMBL3788343 0.98 TSHR (0.58) TSHRDGKAPAMMAPTLMNA
SCHEMBL329740 0.98 TSHR (0.58) TSHRDGKAPAMMAPTLMNA

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
EP-1501774-B9 POLYUNSATURATED LINEAR ALDEHYDES AND THEIR DERIVATIVES WITH ANTI-RADICAL ACTIVITY GIULIANI SPA (IT) 2010-02-24 EP disclosed
EP-1501774-B1 POLYUNSATURATED LINEAR ALDEHYDES AND THEIR DERIVATIVES WITH ANTI-RADICAL ACTIVITY GIULIANI SPA (IT) 2009-08-12 EP disclosed
US-20050175555-A1 Polyunsaturated linear aldehydes and their derivatives with anti-radical and anti-tumoral activity UNIVERSITA' DELGI STUDI DI MILANO (IT) 2005-08-11 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-20050175555-A1 Polyunsaturated linear aldehydes and their derivatives with anti-radical and anti-tumoral activity ALOX5, PRDX5, ALOX15 TSHR 2998/4885DGKA 2233/4885PAM 1051/4885

“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.