SCHEMBL1998279

SCHEMBL1998279

COc1ccc(C2C(C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
ESR1 P03372 3/20 0.52
ESR2 Q92731 2/20 0.52
TUBB4A P04350 6/20 0.50
TUBB P07437 6/20 0.50
TUBA3C P0DPH7 6/20 0.50
TUBA1B P68363 6/20 0.50
TUBA4A P68366 6/20 0.50
TUBB4B P68371 6/20 0.50
TUBB3 Q13509 6/20 0.50
TUBB2A Q13885 6/20 0.50
TUBB8 Q3ZCM7 6/20 0.50
TUBA3E Q6PEY2 6/20 0.50
TUBA1A Q71U36 6/20 0.50
TUBA1C Q9BQE3 6/20 0.50
TUBB6 Q9BUF5 6/20 0.50
TUBB2B Q9BVA1 6/20 0.50
TUBB1 Q9H4B7 6/20 0.50

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
SCHEMBL19423079 1.00 HDAC1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL19423012 1.00 HDAC1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL30184683 1.00 HDAC1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL19423092 1.00 HDAC1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL19423056 1.00 HDAC1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL19423004 1.00 HDAC1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL24167885 1.00 HDAC1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL24167903 0.90 HDAC1 (0.48) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL29501008 0.90 HDAC1 (0.49) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL20707975 0.89 SMN1; SMN2 (0.47) HDAC1HDAC8HDAC6ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438105-A1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Fudan University (CN) 2019-02-06 EP disclosed
WO-2017167183-A1 DIARYL-Β-LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 复旦大学 2017-10-05 WO disclosed
US-20120309734-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2012-12-06 US disclosed
EP-2338877-A1 Combretastatin Derivatives and Uses Therefor The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2011-06-29 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 (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-20120309734-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR CASP4, CA4, ACSL4 HDAC1 75/4885HDAC8 40/4885HDAC6 305/4885

“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.