SCHEMBL19983447

SCHEMBL19983447

Cc1cc(C(C)C)c2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ATM Q13315 1/20 0.42
CASP3 P42574 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MPO P05164 1/20 0.41
DHODH Q02127 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.40
LMNA P02545 1/20 0.39
CHRM4 P08173 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
TYMS P04818 1/20 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
SCHEMBL12929970 0.82 LMNA (0.58) KDM4EALDH1A1KMT2ALMNAPKM
SCHEMBL28730909 0.80 GAA (0.43) GAAATMCASP3KDM4EALDH1A1
SCHEMBL26632753 0.79 POLB (0.50) ALDH1A1MPODHODHMEN1KMT2A
SCHEMBL23683005 0.79 KDM4E (0.49) GAAKDM4EALDH1A1HSD17B10LMNA
SCHEMBL21173342 0.79 GAK (0.48) KDM4EDHODHMEN1KMT2ACYP1A2
SCHEMBL29588228 0.78 CYP1A2 (0.57) GAAATMCASP3KDM4EALDH1A1
SCHEMBL6490334 0.78 CYP1A2 (0.57) GAAATMCASP3KDM4EALDH1A1
SCHEMBL21173346 0.77 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL24915973 0.77 POLB (0.57) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7998749 0.77 CYP1A2 (0.60) KDM4EALDH1A1MEN1KMT2ACYP1A2

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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 US disclosed
WO-2018053126-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF VANDERBILT UNIVERSITY (US) 2018-03-22 WO 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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA GAA 1882/4885ATM 4117/4885CASP3 2644/4885

“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.