SCHEMBL4134322

SCHEMBL4134322

COc1ccc2c(c1OC(C)C)CCCC(=O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 5/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ACHE P22303 2/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
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

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
SCHEMBL4127686 0.83 ADRA1A (0.39) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL2959606 0.79 KDM4E (0.56) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL4119937 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL11624186 0.77 KDM4E (0.35) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL4128606 0.72 KDM4E (0.42) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL2061100 0.72 DRD2 (0.47) ACHE
SCHEMBL16343673 0.71 ALDH1A1 (0.39) ALDH1A1CRHBPCRHR2LMNAMAPK1
SCHEMBL11626560 0.71 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL11957279 0.69 CYP1A2 (0.38) ALDH1A1KDM4EHPGDLMNAACHE
SCHEMBL27973615 0.69 CYP1A2 (0.35) ALDH1A1KDM4EHPGDLMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896391-B1 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY UNIV BAYLOR (US) 2015-08-12 EP disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity BAYLOR UNIVERSITY 2009-03-19 US disclosed
US-7429681-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2008-09-30 US disclosed
US-20060293394-A1 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY 2006-12-28 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 (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-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 ALDH1A1 4033/4885KDM4E 4221/4885HPGD 3200/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 ALDH1A1 4033/4885KDM4E 4221/4885HPGD 3200/4885

“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.