SCHEMBL4452153

SCHEMBL4452153

CCCCC1=C(CCCC)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCD O00767 1/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11091097 0.97 CYP1A2 (0.39) MEN1KMT2ASCDCYP1A2ALDH1A1
SCHEMBL20339953 0.89 MEN1 (0.42) MEN1KMT2ASCDCYP1A2ALDH1A1
SCHEMBL678379 0.89 MEN1 (0.42) MEN1KMT2ASCDCYP1A2ALDH1A1
SCHEMBL27845348 0.88 SCD (0.38) MEN1KMT2ASCDALDH1A1HPGD
SCHEMBL822308 0.86 SCD (0.43) MEN1KMT2ASCDCYP1A2ALDH1A1
SCHEMBL5346762 0.83 SCD (0.47) MEN1KMT2ASCDCYP1A2ALDH1A1
SCHEMBL11839525 0.83 ALDH1A1 (0.37) MEN1KMT2ASCDCYP1A2ALDH1A1
SCHEMBL6538392 0.83 SCD (0.34) SCDALDH1A1L3MBTL1
SCHEMBL1485606 0.83 NOS1 (0.35) MEN1KMT2ASCDCYP1A2ALDH1A1
SCHEMBL31337396 0.81 SCD (0.41) MEN1KMT2ASCDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-12-03 US disclosed
EP-1908743-A1 (ALKYLPHENYL)ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL)ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-09 EP disclosed
US-5075396-A Coordination catalyst comprising magnesium, titanium, halogen, aluminum, an organosilicon compound and a heterocyclic diester as electron donor; durability; stereospecific MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US disclosed
US-4841003-A CCODINATION CATALYST CONTAINING MAGNESIUM, TITANIUM, HALOGEN, LEWIS BASE AND ORGANOALUMINUM COMPOUNDS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-20 US disclosed
US-4725656-A COORDINATION CATALYST COMPRISING MAGNESIUM TITANIUM, ALUMINUM, ORGANO SILICON COMPOUNDS, AND POLYESTERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 US disclosed
EP-0022997-B1 2,2,6,6-TETRAMETHYL-4-PIPERIDYL CARBOXYLIC ACID ESTERS AND AMIDES OF MONO AND POLY ALCOHOLS, PHENOLS AND AMINES AND SYNTHETIC POLYMER COMPOSITIONS STABILIZED THEREBY ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1985-10-02 EP disclosed
US-4336183-A 2,2,6,6-Tetramethyl-4-piperidyl carboxylic acid esters and amides of mono and poly alcohols, phenols and amines as stabilizers for synthetic polymers ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1982-06-22 US disclosed
EP-0022997-A1 2,2,6,6-Tetramethyl-4-piperidyl carboxylic acid esters and amides of mono and poly alcohols, phenols and amines and synthetic polymer compositions stabilized thereby ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1981-01-28 EP disclosed
US-4115476-A 2,2,6,6-Tetramethyl-4-piperidyl carbonic acid esters of dihydric alcohols and phenols as stabilizers for synthetic polymers ARGUS CHEMICAL CORPORATION (US) 1978-09-19 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-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL CCNA2, ACACB, PARP8 MEN1 761/4885KMT2A 1613/4885SCD 276/4885

“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.