SCHEMBL324185

SCHEMBL324185

CCCCc1ccc(-c2ccc(O)cc2)cc1.[NaH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.70
ALDH1A1 P00352 3/20 0.70
HSD17B10 Q99714 3/20 0.70
ADRA2A P08913 2/20 0.70
ADORA3 P0DMS8 2/20 0.70
TACR2 P21452 2/20 0.70
SLC6A2 P23975 2/20 0.70
SLC6A4 P31645 2/20 0.70
SLC6A3 Q01959 2/20 0.70
KDM4E B2RXH2 1/20 0.70
LMNA P02545 1/20 0.70
SHBG P04278 1/20 0.70
TP53 P04637 1/20 0.70
CYP3A4 P08684 1/20 0.70
HSPD1 P10809 1/20 0.70
ADRB3 P13945 1/20 0.70
HTR2C P28335 1/20 0.70
HSPE1 P61604 1/20 0.70
HIF1A Q16665 1/20 0.70
TST Q16762 1/20 0.70

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
SCHEMBL548500 0.98 ESR1 (0.73) ESR1ALDH1A1HSD17B10ADRA2AADORA3
SCHEMBL27587362 0.94 ESR1 (0.79) ESR1ALDH1A1HSD17B10ADRA2AADORA3
SCHEMBL7253630 0.92 PTGS2 (0.84) ESR1ALDH1A1HSD17B10ADRA2AADORA3
SCHEMBL982418 0.92 PTGS2 (0.84) ESR1ALDH1A1HSD17B10ADRA2AADORA3
SCHEMBL20233 0.91 ESR1 (0.83) ESR1ALDH1A1HSD17B10ADRA2AADORA3
Sulfuric Acid SCHEMBL11846534 0.91 ALDH1A1 (0.59) ESR1ALDH1A1HSD17B10ADRA2AADORA3
SCHEMBL982001 0.90 PTGS2 (0.88) ESR1ALDH1A1HSD17B10ADRA2AADORA3
SCHEMBL981447 0.90 PTGS2 (0.88) ESR1ALDH1A1HSD17B10ADRA2AADORA3
SCHEMBL9227876 0.90 PTGS2 (0.88) ESR1ALDH1A1HSD17B10ADRA2AADORA3
SCHEMBL982373 0.90 PTGS2 (0.88) ESR1ALDH1A1HSD17B10ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630948-B1 EXTERNAL OIL-IN-WATER-TYPE SKIN PREPARATION SHISEIDO CO LTD (JP) 2018-08-22 EP disclosed
CN-103249399-B Oil-in-water type external preparation for skin SHISEIDO CO.,LTD. (JP) 2015-12-02 CN disclosed
US-20130231401-A1 External Oil-In-Water-Type Skin Preparation SHISEIDO COMPANY, LTD. (JP) 2013-09-05 US disclosed
EP-2630948-A1 EXTERNAL OIL-IN-WATER-TYPE SKIN PREPARATION SHISEIDO COMPANY, LTD. (JP) 2013-08-28 EP disclosed
CN-103249399-A Oil-in-water type external preparation for skin SHISEDO CO LTD 2013-08-14 CN disclosed
US-20120167451-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-07-05 US disclosed
WO-2012006316-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-01-12 WO disclosed
US-20100037513-A1 Biofuel Composition and Method of Producing a Biofuel NEW GENERATION BIOFUELS, INC. (US) 2010-02-18 US disclosed
CN-101506336-A Biofuel composition and method of producing a biofuel NEW GENERATION BIOFUELS INC (US) 2009-08-12 CN disclosed
EP-2010631-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL New Generation Biofuels, Inc. (US) 2009-01-07 EP disclosed
WO-2007127059-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL NEW GENERATION BIOFUELS, INC. (US) 2007-11-08 WO disclosed
US-6235067-B1 LIQUID HYDROCARBON FUEL AND WATER SUPERCRITICAL MIXTURE EMITTER NOZZLES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-22 US disclosed
US-4076656-A CHANNEL-FORMING LIQUID DEBELL & RICHARDSON, INC. (US) 1978-02-28 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-20130231401-A1 External Oil-In-Water-Type Skin Preparation CUTA, SMARCA1, DEGS1 ESR1 195/4885ALDH1A1 3874/4885HSD17B10 1923/4885

“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.