SCHEMBL16259558

SCHEMBL16259558

CC(C)c1cc2c(c(C(C)(C)C)c1)OCCC2=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
ALOX5 P09917 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL16259614 0.82 CYP1A2 (0.33) PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL13468674 0.80 PTGS1 (0.38) PTGS1PTGS2ALOX5CYP2D6MAOA
SCHEMBL8146384 0.80 GABBR2 (0.38) PTGS1PTGS2ALOX5MAOAMAOB
SCHEMBL18353151 0.78 PTGS1 (0.44) PTGS1PTGS2ALOX5CYP1A2CYP2D6
SCHEMBL15785062 0.73 PTGS1 (0.33) PTGS1PTGS2ALOX5MAOB
SCHEMBL431431 0.72 ALOX5 (0.36) PTGS1PTGS2ALOX5MAOAMAOB
SCHEMBL15001381 0.71 PTGS1 (0.36) PTGS1PTGS2ALOX5
SCHEMBL18353323 0.69 CYP1A2 (0.36) PTGS1PTGS2ALOX5CYP1A2CYP2D6
SCHEMBL3178586 0.69 MAOB (0.46) PTGS1PTGS2CYP2D6MAOAMAOB
SCHEMBL15723285 0.69 PTGS2 (0.47) PTGS1PTGS2ALOX5

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-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC PTGS1 952/4885PTGS2 985/4885ALOX5 843/4885

“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.