SCHEMBL9350334

SCHEMBL9350334

CCCCCC1CCC(CCC2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.43
ESR2 Q92731 6/20 0.43
CYP1A2 P05177 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR2C P28335 1/20 0.37
HSPE1 P61604 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL9350330 1.00 ESR1 (0.43) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9353979 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9354081 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9351361 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9354129 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9351375 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9354007 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9350350 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9350348 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3
SCHEMBL9354083 0.99 ESR1 (0.42) ESR1ESR2CYP1A2ADRA2AADORA3

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-8840807-B2 Polymerizable compound JNC CORPORATION (JP) 2014-09-23 US disclosed
US-20130048912-A1 POLYMERIZABLE COMPOUND JNC PETROCHEMICAL CORPORATION (JP) 2013-02-28 US disclosed
EP-0439362-B1 Diamino compounds and precursors therefor CHISSO CORP (JP) 1994-09-14 EP disclosed
US-5053544-A Diamino compound and its intermediates CHISSO CORPORATION (JP) 1991-10-01 US disclosed
EP-0439362-A1 Diamino compounds and precursors therefor CHISSO CORPORATION (JP) 1991-07-31 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-20130048912-A1 POLYMERIZABLE COMPOUND PYM1, ZYX, CPNE4 ESR1 897/4885ESR2 2691/4885CYP1A2 844/4885

“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.