SCHEMBL6103129

SCHEMBL6103129

COc1cc(C(=O)c2cccc3ccccc23)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 10/20 0.64
TUBB P07437 10/20 0.64
TUBA3C P0DPH7 10/20 0.64
TUBA1B P68363 10/20 0.64
TUBA4A P68366 10/20 0.64
TUBB4B P68371 10/20 0.64
TUBB3 Q13509 10/20 0.64
TUBB2A Q13885 10/20 0.64
TUBB8 Q3ZCM7 10/20 0.64
TUBA3E Q6PEY2 10/20 0.64
TUBA1A Q71U36 10/20 0.64
TUBA1C Q9BQE3 10/20 0.64
TUBB6 Q9BUF5 10/20 0.64
TUBB2B Q9BVA1 10/20 0.64
TUBB1 Q9H4B7 10/20 0.64
CTSD P07339 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL5077492 0.85 ALDH1A1 (0.61) MEN1KMT2AALDH1A1HTT
SCHEMBL6103170 0.82 CDC25B (0.57) TUBB1MEN1KMT2AALDH1A1
SCHEMBL13045498 0.81 CDC25B (0.63) MEN1KMT2AALDH1A1HTT
SCHEMBL1337532 0.80 SMN1; SMN2 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9856908 0.80 CDC25B (0.59) KMT2AALDH1A1POLBHTT
SCHEMBL8812725 0.79 KMT2A (0.57) CTSDMEN1KMT2AALDH1A1POLB
SCHEMBL29236698 0.79 MEN1 (0.54) CTSDMEN1KMT2AALDH1A1POLB
SCHEMBL12551374 0.79 CDC25B (0.61) MEN1KMT2AALDH1A1HTT
SCHEMBL10372518 0.79 TSHR (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1336724 0.78 MEN1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052463-A1 PROCESS FOR REGIOSELECTIVE DEMETHYLATION OF P-METHOXY GROUP IN PHENOLIC ESTER AND DIARYL KETONE MOIETIES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-03-09 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-20060052463-A1 PROCESS FOR REGIOSELECTIVE DEMETHYLATION OF P-METHOXY GROUP IN PHENOLIC ESTER AND DIARYL KETONE MOIETIES KDM4A, CYP4A11, CYP51A1 TUBB4A 3070/4885TUBB 4502/4885TUBA3C 4582/4885

“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.