SCHEMBL20734356

SCHEMBL20734356

C=C(C)c1ccc2c(CC(C)C)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ELANE P08246 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCL2L11 O43521 1/20 0.34
BCL2L1 Q07817 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
DHODH Q02127 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
PTGER1 P34995 1/20 0.32
PTGER3 P43115 1/20 0.32
CNR2 P34972 1/20 0.32
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL18463773 0.83 TOP2A (0.37) TSHRSMN1; SMN2GAALMNA
SCHEMBL24502139 0.82 ELANE (0.42) GABRA1GABRB2ELANEMEN1KMT2A
SCHEMBL20706341 0.76 ALDH1A1 (0.46) GABRA1GABRB2ELANEMEN1KMT2A
SCHEMBL16339195 0.74 GABRA1 (0.44) GABRA1GABRB2ELANEMEN1KMT2A
SCHEMBL31557869 0.74 GABRA1 (0.44) GABRA1GABRB2ELANEMEN1KMT2A
SCHEMBL28520886 0.74 GABRA1 (0.44) GABRA1GABRB2ELANEMEN1KMT2A
SCHEMBL18463728 0.74 PDE10A (0.37) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18463791 0.74 BACE1 (0.51) KMT2ACNR2LMNA
SCHEMBL18463854 0.74 PDE3B (0.36) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL26488980 0.74 GABRA1 (0.36) GABRA1GABRB2ELANEMEN1KMT2A

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-10457699-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-10-29 US disclosed
US-20190051829-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-02-14 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 (2 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-20190051829-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ORC3, BMP2, PPIP5K2 GABRA1 3040/4885GABRB2 3008/4885ELANE 1012/4885
US-10457699-B2 Organic electroluminescent materials and devices MLX, SSB, RPS4X GABRA1 2848/4885GABRB2 3171/4885ELANE 95/4885

“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.