SCHEMBL2396985

SCHEMBL2396985

CC(C)(O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 6/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 5/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
THRB P10828 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL13792036 0.92 ACE2 (0.38) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL571692 0.83 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL12051043 0.80 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10700707 0.80 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10774707 0.79 ESR1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
Formaldehyde SCHEMBL28437274 0.78 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL3220673 0.77 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL18802816 0.76 CA2 (0.42) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL15023884 0.75 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL5527765 0.75 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957212-B2 Photobase generator WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-17 US disclosed
US-20120012833-A1 LIGHT-EMITTING ELEMENT MATERIAL PRECURSOR AND PRODUCTION METHOD THEREFOR TORAY INDUSTRIES, INC. (JP) 2012-01-19 US disclosed
US-20110233048-A1 PHOTOBASE GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-29 US disclosed
EP-2368875-A1 PHOTOBASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2011-09-28 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 (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-20110233048-A1 PHOTOBASE GENERATOR CYBA, CRY1, GNB1 ALDH1A1 503/4885HPGD 246/4885HSD17B10 513/4885
US-20120012833-A1 LIGHT-EMITTING ELEMENT MATERIAL PRECURSOR AND PRODUCTION METHOD THEREFOR AHR, ARNT, CRY1 ALDH1A1 260/4885HPGD 1472/4885HSD17B10 1422/4885

“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.