SCHEMBL18177632

SCHEMBL18177632

COC(=O)/C(C)=C(/C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TGFBR1 P36897 1/20 0.30
TET2 Q6N021 1/20 0.30
CA14 Q9ULX7 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL18177629 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRMGAMGAA
SCHEMBL27840950 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHR
SCHEMBL4986801 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL41033 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL13278346 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRMGAMGAA
Hydrochloric Acid SCHEMBL2533779 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10009158 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHR
SCHEMBL16160125 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRTGFBR1EGLN1
SCHEMBL7914785 0.77 TSHR (0.31) TSHR
SCHEMBL10009153 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783511-B2 Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-10-10 US disclosed
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-27 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-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC ALDH1A1 350/4885SMN1; SMN2 2661/4885TSHR 377/4885

“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.