SCHEMBL9068456

SCHEMBL9068456

CCCC=C(CCC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ESR1 P03372 1/20 0.41
NR5A2 O00482 3/20 0.40
TBXAS1 P24557 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NR5A1 Q13285 2/20 0.39

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
SCHEMBL18801487 1.00 CYP1A2 (0.47) CYP1A2CYP3A4TSHRALDH1A1CES2
SCHEMBL28871639 0.86 ATM (0.42) CYP1A2CYP3A4TSHRALDH1A1CES2
SCHEMBL31520407 0.84 CES2 (0.47) CYP1A2CYP3A4TSHRALDH1A1CES2
SCHEMBL7029645 0.81 TBXAS1 (0.40) CYP1A2CYP3A4TSHRALDH1A1CES2
SCHEMBL7803887 0.81 CES2 (0.50) CES2CES1SMN1; SMN2ESR1PTGS2
SCHEMBL7803886 0.81 CES2 (0.50) CES2CES1SMN1; SMN2ESR1PTGS2
SCHEMBL14528010 0.81 PTGS1 (0.46) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL27809812 0.81 CYP1A2 (0.40) CYP1A2CYP3A4TSHRALDH1A1CES2
SCHEMBL4614904 0.80 MTNR1A (0.53) CES2CES1ESR1MEN1KMT2A
SCHEMBL4614326 0.80 MTNR1A (0.53) CES2CES1ESR1MEN1KMT2A

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
US-20150291728-A1 EPOXY COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE EPOXY RESIN COMPOSITION DAICEL CORPORATION (JP) 2015-10-15 US disclosed
EP-2921513-A1 EPOXY COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE EPOXY RESIN COMPOSITION Daicel Corporation (JP) 2015-09-23 EP disclosed
CN-1281360-A Use of substituted amidino compounds in the treatment of chronic obstructive pulmonary disease NOVARTIS AG (CH) 2001-01-24 CN disclosed
CN-1119434-A Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 1996-03-27 CN disclosed
US-5502207-A ALKENYL-SUBSTITUTED BISNADIMIDE MARUZEN PETROCHEMICAL CO., LTD. (JP) 1996-03-26 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 (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-20150291728-A1 EPOXY COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE EPOXY RESIN COMPOSITION CBR1, SEM1, EEF1A1 CYP1A2 284/4885CYP3A4 513/4885TSHR 3725/4885

“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.