SCHEMBL3128348

SCHEMBL3128348

COc1ccc2c(c1)OCC(C(=O)c1cc(OC)c(OC)c(OC)c1)=C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.61
ALOX5 P09917 1/20 0.60
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52
TUBB2B Q9BVA1 2/20 0.52
TUBB1 Q9H4B7 2/20 0.52

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
Phosphoric Acid SCHEMBL3134333 0.96 NR1H4 (0.57) NR1H4ALOX5ALDH1A1MAPTCYP2C9
SCHEMBL3135730 0.85 MAPT (0.46) NR1H4ALOX5ALDH1A1MAPTCYP2C9
SCHEMBL3127815 0.82 ALDH1A1 (0.48) NR1H4ALDH1A1MAPTCYP2C9TUBB4A
SCHEMBL3133245 0.82 TUBB4A (0.48) NR1H4ALOX5ALDH1A1MAPTCYP2C9
SCHEMBL3141244 0.81 NR1H4 (0.47) NR1H4ALDH1A1MAPTCYP2C9TUBB4A
SCHEMBL10470600 0.79 ALOX5 (0.71) NR1H4ALOX5ALDH1A1MAPTSHMT2
SCHEMBL432850 0.79 ALOX5 (0.71) NR1H4ALOX5ALDH1A1MAPTSHMT2
SCHEMBL3127787 0.79 NR1H4 (0.51) NR1H4ALDH1A1MAPTCYP2C9TUBB4A
SCHEMBL3136921 0.78 NR1H4 (0.55) NR1H4ALDH1A1MAPTCYP2C9TUBB4A
SCHEMBL14013663 0.77 SHMT2 (0.41) NR1H4ALOX5ALDH1A1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751128-B1 CHROMENE-DERIVATIVES WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY OXIGENE INC (US) 2010-07-21 EP disclosed
EP-1751128-B1 CHROMENE-DERIVATIVES WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY OXIGENE INC (US) 2010-07-21 EP disclosed
US-7456214-B2 Cancer; for selectively destroying tumor vasculature; inhibit tubulin polymerization; selectively reducing blood flow to at least a portion of a neoplastic region; 3-(3',4',5'-Trimethoxybenzoyl)-6-hydroxy-7-methoxy-2H-chromene BAYLOR UNIVERSITY (US) 2008-11-25 US disclosed
US-7456214-B2 Cancer; for selectively destroying tumor vasculature; inhibit tubulin polymerization; selectively reducing blood flow to at least a portion of a neoplastic region; 3-(3',4',5'-Trimethoxybenzoyl)-6-hydroxy-7-methoxy-2H-chromene BAYLOR UNIVERSITY (US) 2008-11-25 US disclosed
US-7456214-B2 Cancer; for selectively destroying tumor vasculature; inhibit tubulin polymerization; selectively reducing blood flow to at least a portion of a neoplastic region; 3-(3',4',5'-Trimethoxybenzoyl)-6-hydroxy-7-methoxy-2H-chromene BAYLOR UNIVERSITY (US) 2008-11-25 US disclosed
EP-1751128-A1 CHROMENE-DERIVATIVES WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY OXIGENE, INC. (US) 2007-02-14 EP disclosed
WO-2005113532-A1 CHROMENE-DERIVATIVES WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY OXIGENE, INC. (US) 2005-12-01 WO disclosed
US-20050245490-A1 Chromene-containing compounds with anti-tubulin and vascular targeting activity MATEON THERAPEUTICS, INC. 2005-11-03 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-20050245490-A1 Chromene-containing compounds with anti-tubulin and vascular targeting activity TUBB1, TUBB3, TUBB NR1H4 1169/4885ALOX5 4269/4885ALDH1A1 3448/4885

“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.