SCHEMBL21135650

SCHEMBL21135650

CCC(C)c1cc(C#N)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GRM5 P41594 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 1/20 0.33
KCNH2 Q12809 1/20 0.33
HPGDS O60760 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
SCHEMBL10138510 0.86 ALDH1A1 (0.50) ALDH1A1GAAMAPTTSHRHPGD
SCHEMBL21164288 0.85 MGLL (0.38) MGLLALDH1A1GRM5KDM1AKCNH2
SCHEMBL19272949 0.84 ALDH1A1 (0.36) ALDH1A1GAATSHRHPGDSMN1; SMN2
SCHEMBL15958517 0.82 ALDH1A1 (0.42) MGLLALDH1A1GRM5KDM1AHPGDS
SCHEMBL10472613 0.82 MGLL (0.36) MGLLALDH1A1TSHRHPGD
SCHEMBL16961695 0.79 ALDH1A1 (0.39) MGLLALDH1A1GRM5KDM1AHPGDS
SCHEMBL202404 0.78 ALDH1A1 (0.61) ALDH1A1GRM5KDM1AHPGDS
SCHEMBL6682154 0.77 ALDH1A1 (0.41) MGLLALDH1A1GRM5KDM1AHPGDS
SCHEMBL3628529 0.77 EPAS1 (0.41) MGLLALDH1A1GRM5KDM1AHPGDS
SCHEMBL158444 0.76 MGLL (0.36) MGLLALDH1A1GRM5KDM1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-07-02 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-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof RORC, RORB, RORA MGLL 4128/4885ALDH1A1 484/4885GAA 1994/4885

“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.