SCHEMBL4928340

SCHEMBL4928340

C=CC(=O)OC(C)(C)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.35
ACHE P22303 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GSK3B P49841 3/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRA P10827 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKT1 P31749 1/20 0.32
MAOB P27338 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL31132053 0.90 THRB (0.39) THRBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL5483835 0.84 CYP2C19 (0.35) THRBACHEGABRA1GABRB2ALDH1A1
SCHEMBL16181793 0.81 CYP2C9 (0.37) TSHRCYP2C9TDP1MEN1KMT2A
SCHEMBL7949339 0.80 GABRA1 (0.39) ACHEGABRA1GABRB2ALDH1A1TSHR
SCHEMBL28147925 0.80 KMT2A (0.38) THRBACHEALDH1A1TSHRCYP3A4
SCHEMBL22642594 0.79 GABRA1 (0.38) ACHEGABRA1GABRB2ALDH1A1TSHR
SCHEMBL4596471 0.77 ALDH1A1 (0.48) THRBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL4287836 0.77 GABRA1 (0.37) GABRA1GABRB2ALDH1A1TSHRCYP3A4
SCHEMBL28285845 0.77 THRB (0.35) THRBACHEALDH1A1TSHRCYP3A4
Ethane SCHEMBL28624063 0.76 ALDH1A1 (0.47) THRBALDH1A1TSHRCYP3A4CYP2C9

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-10739678-B2 Photocurable composition, pattern forming method, and method for manufacturing device FUJIFILM CORPORATION (JP) 2020-08-11 US disclosed
US-20180120698-A1 PHOTOCURABLE COMPOSITION, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed
US-20180120698-A1 PHOTOCURABLE COMPOSITION, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 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-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885ACHE 2032/4885GABRA1 96/4885

“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.