SCHEMBL10909669

SCHEMBL10909669

C=C(C)CCc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.56
ESR2 Q92731 2/20 0.56
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
ADRA2A P08913 3/20 0.52
SLC6A2 P23975 3/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SHBG P04278 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL11443937 0.89 ESR1 (0.55) ESR1ESR2KDM4EALDH1A1ADRA2A
SCHEMBL9577014 0.82 CYP1A2 (0.48) ALDH1A1TAAR1L3MBTL1TDP1IGF1R
SCHEMBL19217738 0.82 LPL (0.48) ESR1KDM4EALDH1A1ADRA2ASLC6A2
SCHEMBL7675448 0.81 ESR1 (0.62) ESR1ESR2KDM4EALDH1A1ADRA2A
SCHEMBL12327373 0.80 AOC3 (0.47) PTGS1PTGS2TAAR1SLC5A1HPGD
SCHEMBL18657166 0.80 GFER (0.54) ALDH1A1CYP3A4CA2TDP1CYP19A1
SCHEMBL2163306 0.79 ALDH1A1 (0.61) KDM4EALDH1A1SLC6A3KMT2ATDP1
SCHEMBL14534212 0.79 ESR1 (0.59) ESR1ESR2KDM4EALDH1A1ADRA2A
SCHEMBL13189671 0.78 ESR1 (0.52) ESR1ESR2KDM4EALDH1A1ADRA2A
Raspberryketone SCHEMBL8759829 0.78 ALDH1A1 (0.61) ESR1ESR2KDM4EALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228266-A FROM CYCLOPENTADIENE, DICYCLOPENTADIENE, ALKYL-SUBSTITUTED COMPOUNDS THEREOF AND A HYDROXYSTYRENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-14 US claimed
US-4129557-A CYCLOPENTADIENE, DICYCLOPENTADIENE, HYDROXYSTYRENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-12-12 US claimed
EP-2606725-A1 Phenol derivatives as antimicrobial agents Symrise AG (DE) 2013-06-26 EP disclosed
EP-2606725-A1 Phenol derivatives as antimicrobial agents Symrise AG (DE) 2013-06-26 EP disclosed
US-20130156708-A1 PHENOL DERIVATIVES AS ANTIMICROBIAL AGENTS SYMRISE AG (DE) 2013-06-20 US disclosed
US-20130156708-A1 PHENOL DERIVATIVES AS ANTIMICROBIAL AGENTS SYMRISE AG (DE) 2013-06-20 US disclosed
US-20130156708-A1 PHENOL DERIVATIVES AS ANTIMICROBIAL AGENTS SYMRISE AG (DE) 2013-06-20 US disclosed
US-20100317570-A1 Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-16 US disclosed
CN-1459382-A Thermosensitive recording material FUJI PHOTO FILM CO LTD (JP) 2003-12-03 CN disclosed
US-4594460-A Process for selective C-alkylation of phenols RHONE-POULENC SANTE (FR) 1986-06-10 US disclosed
US-4228266-A FROM CYCLOPENTADIENE, DICYCLOPENTADIENE, ALKYL-SUBSTITUTED COMPOUNDS THEREOF AND A HYDROXYSTYRENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-14 US disclosed
US-4129557-A CYCLOPENTADIENE, DICYCLOPENTADIENE, HYDROXYSTYRENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-12-12 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 (2 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-20100317570-A1 Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor GPR119, INSR, GLP1R ESR1 942/4885ESR2 459/4885KDM4E 4783/4885
US-20130156708-A1 PHENOL DERIVATIVES AS ANTIMICROBIAL AGENTS TYR, TH, COMT ESR1 38/4885ESR2 357/4885KDM4E 1164/4885

“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.