Millepachine

Millepachine

SCHEMBL16697964

COc1ccc(C=CC(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.68
▸ HDAC7 Q8WUI4 3/20 0.68
▸ HDAC2 Q92769 3/20 0.68
▸ HDAC6 Q9UBN7 3/20 0.68
▸ TUBB4A P04350 1/20 0.68
▸ TUBB P07437 1/20 0.68
▸ TUBA3C P0DPH7 1/20 0.68
▸ TUBA1B P68363 1/20 0.68
▸ TUBA4A P68366 1/20 0.68
▸ TUBB4B P68371 1/20 0.68
▸ TUBB3 Q13509 1/20 0.68
▸ TUBB2A Q13885 1/20 0.68
▸ TUBB8 Q3ZCM7 1/20 0.68
▸ TUBA3E Q6PEY2 1/20 0.68
▸ TUBA1A Q71U36 1/20 0.68
▸ TUBA1C Q9BQE3 1/20 0.68
▸ TUBB6 Q9BUF5 1/20 0.68
▸ TUBB2B Q9BVA1 1/20 0.68
▸ TUBB1 Q9H4B7 1/20 0.68
▸ ACHE P22303 2/20 0.67

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
Millepachine SCHEMBL16697961 1.00 HDAC1 (0.68) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16698051 0.91 HDAC1 (0.68) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16698054 0.91 HDAC1 (0.68) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16698154 0.91 HDAC1 (0.63) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16698151 0.91 HDAC1 (0.63) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16698153 0.91 HDAC1 (0.63) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16698334 0.90 HDAC1 (0.67) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16698163 0.90 HDAC1 (0.67) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16698161 0.90 HDAC1 (0.67) HDAC1HDAC7HDAC2HDAC6TUBB4A
SCHEMBL16697701 0.90 HDAC1 (0.69) HDAC1HDAC7HDAC2HDAC6TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394268-B2 (E)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one and analogs thereof, as well as preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-07-19 — — US disclosed
US-9394268-B2 (E)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one and analogs thereof, as well as preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-07-19 — — US disclosed
US-9394268-B2 (E)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one and analogs thereof, as well as preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-07-19 — — US disclosed
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-05-14 — — US disclosed
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-05-14 — — US disclosed
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-05-14 — — 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-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF ECE1, CMA1, MME HDAC1 2136/4885HDAC7 2623/4885HDAC2 1487/4885

“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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