SCHEMBL3358072

SCHEMBL3358072

CC=Cc1ccc(Oc2cc(C=CC)cc(OC(C)=O)c2OC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.60
TUBB P07437 3/20 0.60
TUBA3C P0DPH7 3/20 0.60
TUBA1B P68363 3/20 0.60
TUBA4A P68366 3/20 0.60
TUBB4B P68371 3/20 0.60
TUBB3 Q13509 3/20 0.60
TUBB2A Q13885 3/20 0.60
TUBB8 Q3ZCM7 3/20 0.60
TUBA3E Q6PEY2 3/20 0.60
TUBA1A Q71U36 3/20 0.60
TUBA1C Q9BQE3 3/20 0.60
TUBB6 Q9BUF5 3/20 0.60
TUBB2B Q9BVA1 3/20 0.60
TUBB1 Q9H4B7 3/20 0.60
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 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
SCHEMBL3358065 1.00 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL717041 0.84 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL717042 0.84 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3359145 0.81 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3356575 0.81 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10149023 0.78 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23467798 0.77 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11896453 0.77 MAPT (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12395473 0.77 MAPT (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL717232 0.76 TUBB4A (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239955-A1 Novel obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-09-24 US claimed
US-8183405-B2 Obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-05-22 US disclosed
US-20100125103-A1 COMPOSITION FOR THE TREATMENT OF DIABETES AND METABOLIC SYNDROME CONTAINING OBOVATOL AND ITS SYNTHESIZED DERIVATIVES TG BIOTECH CO. LTD. (KR) 2010-05-20 US disclosed
US-20090239955-A1 Novel obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-09-24 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 (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-20100125103-A1 COMPOSITION FOR THE TREATMENT OF DIABETES AND METABOLIC SYNDROME CONTAINING OBOVATOL AND ITS SYNTHESIZED DERIVATIVES GPR119, PRKAG1, AK1 TUBB4A 3261/4885TUBB 3781/4885TUBA3C 4294/4885
US-20090239955-A1 Novel obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient OGFRL1, TP53, BAX TUBB4A 1978/4885TUBB 3428/4885TUBA3C 3502/4885

“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.