SCHEMBL19100384

SCHEMBL19100384

C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(C(=O)OCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.57
▸ TUBB P07437 2/20 0.57
▸ TUBA3C P0DPH7 2/20 0.57
▸ TUBA1B P68363 2/20 0.57
▸ TUBA4A P68366 2/20 0.57
▸ TUBB4B P68371 2/20 0.57
▸ TUBB3 Q13509 2/20 0.57
▸ TUBB2A Q13885 2/20 0.57
▸ TUBB8 Q3ZCM7 2/20 0.57
▸ TUBA3E Q6PEY2 2/20 0.57
▸ TUBA1A Q71U36 2/20 0.57
▸ TUBA1C Q9BQE3 2/20 0.57
▸ TUBB6 Q9BUF5 2/20 0.57
▸ TUBB2B Q9BVA1 2/20 0.57
▸ TUBB1 Q9H4B7 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.50
▸ HSD17B2 P37059 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49

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
SCHEMBL19100390 0.83 HDAC8 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12677586 0.82 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2091159 0.82 HSD17B2 (0.67) HSD17B2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL19124601 0.79 HDAC8 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19100041 0.77 HDAC8 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.77 KMT2A (0.66) HSD17B2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7100310 0.77 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12677570 0.76 TUBB1 (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11636158 0.76 HSD17B2 (0.51) HSD17B2ALDH1A1KMT2AMEN1HPGD
SCHEMBL2096332 0.76 LMNA (0.57) HSD17B2ALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400210-B1 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER UNIV PARIS SACLAY (FR) 2021-09-29 — — EP disclosed
EP-3400210-B1 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER UNIV PARIS SACLAY (FR) 2021-09-29 — — EP disclosed
US-11014871-B2 “Multi-target” compounds with inhibitory activity towards histone deacetylases and tubulin polymerisation, for use in the treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-05-25 — — US disclosed
US-11014871-B2 “Multi-target” compounds with inhibitory activity towards histone deacetylases and tubulin polymerisation, for use in the treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-05-25 — — US disclosed
US-20190023645-A1 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER UNIVERSITE PARIS-SUD (FR) 2019-01-24 — — US disclosed
US-20190023645-A1 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER UNIVERSITE PARIS-SUD (FR) 2019-01-24 — — US disclosed
EP-3400210-A2 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER Universite Paris-Sud (FR) 2018-11-14 — — EP disclosed
WO-2017118822-A2 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER UNIVERSITE PARIS-SUD (FR) 2017-07-13 — — WO disclosed
WO-2017118822-A2 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER UNIVERSITE PARIS-SUD (FR) 2017-07-13 — — WO 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-20190023645-A1 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER HDAC6, HDAC1, HDAC5 TUBB4A 27/4885TUBB 13/4885TUBA3C 23/4885
US-11014871-B2 “Multi-target” compounds with inhibitory activity towards histone deacetylases and tubulin polymerisation, for use in the treatment of cancer HDAC6, HDAC1, HDAC5 TUBB4A 28/4885TUBB 13/4885TUBA3C 25/4885

“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.

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