SCHEMBL19901140

SCHEMBL19901140

CC(C)(C)CC(C)(C)n1c2ccccc2c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 1/20 0.36
POLB P06746 1/20 0.36
DNM1 Q05193 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PER2 O15055 2/20 0.35
CRY1 Q16526 2/20 0.35
CRY2 Q49AN0 2/20 0.35
BACE1 P56817 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
SLC6A2 P23975 1/20 0.34
TSHR P16473 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
KIF11 P52732 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
SCHEMBL6468879 0.81 CYP1A2 (0.48) GPR3CYP1A2CYP2C19CYP19A1POLB
SCHEMBL30918760 0.78 SMN1; SMN2 (0.32) POLBSLC6A2
SCHEMBL6468350 0.78 GPR3 (0.41) GPR3CYP1A2CYP2C19CYP19A1POLB
SCHEMBL19565815 0.76 GPR3 (0.40) GPR3CYP1A2CYP2C19CYP19A1POLB
SCHEMBL2608424 0.75 GPR3 (0.52) GPR3CYP1A2CYP2C19CYP19A1POLB
SCHEMBL29625463 0.75 GPR3 (0.52) GPR3CYP1A2CYP2C19CYP19A1POLB
SCHEMBL21426092 0.75 CYP1A2 (0.47) GPR3CYP1A2CYP2C19CYP19A1KDM4E
SCHEMBL22894392 0.75 PGR (0.44) GPR3CYP1A2CYP2C19KDM4EL3MBTL1
SCHEMBL22809971 0.75 GPR3 (0.39) GPR3CYP1A2CYP2C19CYP19A1POLB
SCHEMBL24220174 0.73 KDM4E (0.50) CYP1A2CYP2C19POLBKDM4EL3MBTL1

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-10033000-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-07-24 US disclosed
US-9905784-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 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-10033000-B2 Organic electroluminescent materials and devices LSM8, OPRM1, OXER1 GPR3 872/4885CYP1A2 1425/4885CYP2C19 3309/4885

“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.