SCHEMBL11903331

SCHEMBL11903331

CCCCCC1C(C=O)=C(Cl)NC(C)=C1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR3 O14843 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2576010 0.79 LMNA (0.50) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL8654643 0.78 ALDH1A1 (0.49) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL8653231 0.78 ALDH1A1 (0.49) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL8654462 0.78 ALDH1A1 (0.49) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL8652188 0.74 ALDH1A1 (0.51) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL8655261 0.67 ALDH1A1 (0.65) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL7379538 0.67 SMN1; SMN2 (0.56) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL8521929 0.66 ALDH1A1 (0.50) ALDH1A1LMNATP53HPGDTSHR
SCHEMBL7845674 0.65 FFAR3 (0.64) ALDH1A1TP53HPGDTSHRHSD17B10
SCHEMBL7148358 0.63 ALDH1A1 (0.58) ALDH1A1LMNATP53HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315497-B2 Tricyclic and tetracyclic systems with activity on the central nervous and vascular systems Centro de Investigacion Y Desarrollo de . . . (CIDEM) Laboratorio de Sintesis Organica de La Facultad . . . (CU) 2016-04-19 US disclosed
US-20120202791-A1 Tricyclic and Tetracyclic Systems with Activity on the Central Nervous and Vascular Systems CENTRO DE INVESTIGACION Y DESARROLLO DE LOS MEDICAMENTOS (CIDEM) (CU) 2012-08-09 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-20120202791-A1 Tricyclic and Tetracyclic Systems with Activity on the Central Nervous and Vascular Systems CACNA1I, CACNA1G, CACNA1D ALDH1A1 1048/4885LMNA 3002/4885TP53 4333/4885

“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.