SCHEMBL5819472

SCHEMBL5819472

C=CC=C[C@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](C)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
FFAR1 O14842 1/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CYP2C19 P33261 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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
SCHEMBL5819466 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15
SCHEMBL14567505 0.92 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15
SCHEMBL6810293 0.85 APLNR (0.33) ALDH1A1CYP3A4IDO1AGXTCYP2C19
SCHEMBL5816125 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15
SCHEMBL5816133 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15
SCHEMBL5819052 0.80 IDO1 (0.33) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15
SCHEMBL5819050 0.80 IDO1 (0.33) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15
SCHEMBL5819046 0.80 IDO1 (0.33) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15
SCHEMBL14567513 0.80 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15
SCHEMBL14567504 0.80 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1CYP3A4TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148218-B2 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2006-12-12 US disclosed
EP-1312608-B1 Discodermolide analogues and their pharmaceutical use NOVARTIS AG (CH) 2006-08-02 EP disclosed
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors KINDER FREDERICK R (US) 2005-04-14 US disclosed
US-6833367-B2 A polyhydroxy-polymethyl-8-tridecenoic acid 8-lactone compounds, as antitumor agents, anticarcinogenic agents NOVARTIS AC (CH) 2004-12-21 US disclosed
US-20030153601-A1 Certain substituted polyketides, pharmac eutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2003-08-14 US disclosed
EP-1312608-A2 Discodermolide analogues and their pharmaceutical use Novartis AG (CH) 2003-05-21 EP 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-20030153601-A1 Certain substituted polyketides, pharmac eutical compositions containing them and their use in treating tumors PBK, BCKDK, ETV6 SMN1; SMN2 3663/4885ALDH1A1 336/4885CYP3A4 831/4885
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors PBK, HCCS, BCKDK SMN1; SMN2 4273/4885ALDH1A1 912/4885CYP3A4 1193/4885

“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.