SCHEMBL6248013

SCHEMBL6248013

Cc1cc(OC(=O)CCl)ccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
FKBP1A P62942 1/20 0.46
CARM1 Q86X55 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL3904552 0.80 TDP1 (0.58) TDP1PLA2G1BATG4BFKBP1ACARM1
SCHEMBL5293036 0.80 TSHR (0.53) TDP1PLA2G1BATG4BL3MBTL1KMT2A
SCHEMBL22580428 0.79 L3MBTL1 (0.56) TDP1L3MBTL1KDM4EMAPT
SCHEMBL11482491 0.79 TDP1 (0.57) TDP1PLA2G1BATG4BFKBP1ACARM1
SCHEMBL9946003 0.77 TDP1 (0.54) TDP1PLA2G1BATG4BFKBP1ACARM1
SCHEMBL20439411 0.76 RAB9A (0.56) TDP1PLA2G1BATG4BFKBP1AKMT2A
SCHEMBL26500618 0.75 TDP1 (0.53) TDP1PLA2G1BATG4BFKBP1ACARM1
SCHEMBL2959433 0.74 FKBP1A (0.57) TDP1PLA2G1BATG4BFKBP1ACARM1
SCHEMBL2950207 0.73 MCL1 (0.62) FKBP1ACARM1L3MBTL1KDM4EMAPT
SCHEMBL4095285 0.73 KMT2A (0.52) KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1099689-B1 Functional alcohol releasing substance KAO CORP (JP) 2005-08-03 EP disclosed
US-6586639-B2 Releasing functional alcohol in composition by formulating composition comprising betaine ester of functional alcohol KAO CORPORATION (JP) 2003-07-01 US disclosed
US-20030083513-A1 Functional alcohol releasing substance KAO CORPORATION (JP) 2003-05-01 US disclosed
US-6486333-B1 Functional alcohol releasing substance KAO CORPORATION (JP) 2002-11-26 US disclosed
EP-1099689-A2 Functional alcohol releasing substance Kao Corporation (JP) 2001-05-16 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-20030083513-A1 Functional alcohol releasing substance TACR2, ADH1A, ADH5 TDP1 4065/4885PLA2G1B 1327/4885ATG4B 4574/4885

“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.