SCHEMBL489768

SCHEMBL489768

C=C(C=CC=C(CCCCCCCCC)c1ccccc1C=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 6/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
PLIN1 O60240 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL3525037 0.90 TDP1 (0.34) TDP1LMNATSHRALDH1A1MAPT
SCHEMBL489634 0.73 LMNA (0.52) TDP1LMNATSHRALDH1A1TP53
SCHEMBL489343 0.72 LMNA (0.49) TDP1LMNATSHRALDH1A1TP53
SCHEMBL13990162 0.70 HTT (0.49) TDP1LMNATSHRALDH1A1CYP3A4
SCHEMBL489102 0.68 CYSLTR2 (0.34) TDP1LMNATSHRALDH1A1MAPT
SCHEMBL2430994 0.68 TBXAS1 (0.41) TDP1LMNATSHRALDH1A1CYP3A4
SCHEMBL2430993 0.68 TBXAS1 (0.41) TDP1LMNATSHRALDH1A1CYP3A4
Salicyladehyde SCHEMBL4652412 0.67 TRIM24 (0.40) TDP1LMNATSHRALDH1A1MAPT
SCHEMBL9101156 0.67 ALDH1A1 (0.74) TDP1LMNATSHRALDH1A1CYP3A4
SCHEMBL2639485 0.67 ALDH1A1 (0.74) TDP1LMNATSHRALDH1A1CYP3A4

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-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 TDP1 1296/4885LMNA 3818/4885TSHR 4844/4885

“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.