SCHEMBL910504

SCHEMBL910504

CC([C]=O)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.52
ADRA1A P35348 2/20 0.52
MIF P14174 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2B P41595 1/20 0.52
HIF1A Q16665 4/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL7554338 0.80 ESR1 (0.58) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL10482997 0.80 ESR1 (0.44) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL1884246 0.80 ESR1 (0.58) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL6351865 0.79 ADRB1 (0.59) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL28753521 0.78 KDM4E (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL910761 0.78 ACP3 (0.44) TSHRGAAALDH1A1ACHEHPGD
SCHEMBL8944137 0.78 ADRB1 (0.48) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL8943712 0.77 KYNU (0.49) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL51528 0.76 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL921895 0.76 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN claimed
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 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 (4 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ADRB1 631/4885ADRA1A 362/4885MIF 2776/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ADRB1 3712/4885ADRA1A 3469/4885MIF 2806/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 ADRB1 4047/4885ADRA1A 3936/4885MIF 4546/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ADRB1 589/4885ADRA1A 337/4885MIF 3544/4885

“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.