SCHEMBL3670046

SCHEMBL3670046

Cc1ccc(C(=O)C(C)C)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
DBH P09172 1/20 0.59
GAA P10253 1/20 0.59
RECQL P46063 1/20 0.59
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL172415 0.83 KDM4E (0.71) KDM4EDBHGAARECQLHTT
SCHEMBL10026169 0.83 ALDH1A1 (0.49) KDM4EDBHGAARECQLCES2
SCHEMBL23646742 0.83 SMN1; SMN2 (0.48) KDM4EDBHGAARECQLCES2
SCHEMBL15822168 0.82 KDM4E (0.53) KDM4EDBHGAARECQLSMN1; SMN2
SCHEMBL16689552 0.82 HDAC1 (0.58) KDM4EDBHGAARECQLCES2
SCHEMBL27941549 0.82 CES2 (0.52) KDM4EDBHGAARECQLCES2
SCHEMBL879752 0.82 CHRNA1 (0.64) KDM4EDBHGAARECQLALDH1A1
SCHEMBL8745697 0.82 KDM4E (0.53) KDM4EDBHGAARECQLCES2
SCHEMBL12780290 0.82 GAA (0.53) KDM4EDBHGAARECQLCES2
SCHEMBL2237695 0.82 GAA (0.53) KDM4EDBHGAARECQLTAS1R3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023022042-A1 PHOTOSENSITIVE SURFACE TREATMENT AGENT, LAMINATE, TRANSISTOR, PATTERN FORMATION METHOD, AND TRANSISTOR MANUFACTURING METHOD 株式会社ニコン 2023-02-23 WO disclosed
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 US disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 WO disclosed
EP-3016926-B1 METHOD OF ACYLATING AN AROMATIC COMPOUND DSM IP ASSETS BV (NL) 2017-05-31 EP disclosed
US-20160185699-A1 METHOD OF ACYLATING AN AROMATIC COMPOUND DSM IP ASSETS B.V. (NL) 2016-06-30 US disclosed
EP-3016926-A1 METHOD OF ACYLATING AN AROMATIC COMPOUND DSM IP Assets B.V. (NL) 2016-05-11 EP disclosed
WO-2015001032-A1 METHOD OF ACYLATING AN AROMATIC COMPOUND DSM IP ASSETS B.V. (NL) 2015-01-08 WO disclosed
US-8497361-B2 Topoisomerase binding probe and method of use SRI INTERNATIONAL (US) 2013-07-30 US disclosed
US-20120225788-A1 Topoisomerase Binding Probe and Method of Use SRI INTERNATIONAL 2012-09-06 US disclosed
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 EP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed
EP-0079372-B1 PRIMED INORGANIC SUBSTRATES OVERCOATED WITH CURABLE PROTECTIVE COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-10-08 EP disclosed
US-4182730-A Process for the preparation of substituted dihydrocinnamaldehydes via novel β-chlorocinnamaldehydes GIVAUDAN CORPORATION (US) 1980-01-08 US disclosed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 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 (3 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-20160185699-A1 METHOD OF ACYLATING AN AROMATIC COMPOUND ARSA, ACR, APEH KDM4E 129/4885DBH 714/4885GAA 71/4885
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 KDM4E 2277/4885DBH 408/4885GAA 2055/4885
US-20120225788-A1 Topoisomerase Binding Probe and Method of Use TOP2B, TOP1, TOP2A KDM4E 742/4885DBH 3768/4885GAA 2440/4885

“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.