SCHEMBL3695263

SCHEMBL3695263

COc1ccc(/C=C/C(=O)c2cc(-c3ccccc3OC)ccc2N2CCN(C)CC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.45
TUBB P07437 4/20 0.45
TUBA3C P0DPH7 4/20 0.45
TUBA1B P68363 4/20 0.45
TUBA4A P68366 4/20 0.45
TUBB4B P68371 4/20 0.45
TUBB3 Q13509 4/20 0.45
TUBB2A Q13885 4/20 0.45
TUBB8 Q3ZCM7 4/20 0.45
TUBA3E Q6PEY2 4/20 0.45
TUBA1A Q71U36 4/20 0.45
TUBA1C Q9BQE3 4/20 0.45
TUBB6 Q9BUF5 4/20 0.45
TUBB2B Q9BVA1 4/20 0.45
TUBB1 Q9H4B7 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL3694916 1.00 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3697510 0.97 PTPN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3693493 0.97 PTPN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3688308 0.93 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3688280 0.93 MEN1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3691977 0.93 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3697338 0.93 MEN1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3688915 0.92 ITGAL (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3696107 0.92 ITGAL (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3690216 0.92 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 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-20080027075-A1 Quaternary Amino-Function Chalcones NR2E1, BET1, NR0B1 TUBB4A 2185/4885TUBB 1078/4885TUBA3C 925/4885

“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.