SCHEMBL20143726

SCHEMBL20143726

Cc1nccn1-c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 3/20 0.37
ALOX15 P16050 2/20 0.37
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
GABRA1 P14867 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36

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
Hydrochloric Acid SCHEMBL3641398 0.81 DPP4 (0.36) CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2
SCHEMBL17457583 0.81 TSHR (0.36) CYP3A4CYP2E1CYP2A6ALDH1A1MAPT
SCHEMBL21840781 0.81 KCNH2 (0.38) CYP3A4ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL2040213 0.80 ALDH1A1 (0.49) ALDH1A1TSHRALOX15
Hydrochloric Acid SCHEMBL28951009 0.79 TSHR (0.35) CYP3A4ALDH1A1CYP1A2TSHRALOX15
SCHEMBL21131348 0.79 KDR (0.40) ALDH1A1MAPTCYP2C19TSHRALOX15
SCHEMBL30024343 0.79 ALDH1A1 (0.48) ALDH1A1TSHRALOX15
SCHEMBL21647270 0.79 ALDH1A1 (0.48) ALDH1A1TSHRALOX15
SCHEMBL30125198 0.79 ALDH1A1 (0.48) ALDH1A1TSHRALOX15
SCHEMBL29373868 0.79 ALDH1A1 (0.48) ALDH1A1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834459-B2 Host materials for electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2023-12-05 US disclosed
US-20210300956-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-09-30 US disclosed
US-20210188888-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-06-24 US disclosed
US-20210024561-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-01-28 US disclosed
US-20200190103-A1 HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES UNIVERSAL DISPLAY CORPORATION 2020-06-18 US disclosed
US-9972793-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-05-15 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 (5 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-20210024561-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBP, OCIAD2, OSBPL8 CYP3A4 635/4885CYP2E1 525/4885CYP2A6 2944/4885
US-20210300956-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ACSL3, ACSL1, OXER1 CYP3A4 499/4885CYP2E1 136/4885CYP2A6 1756/4885
US-20200190103-A1 HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES RPS4X, MLX, RPS4Y1 CYP3A4 1613/4885CYP2E1 991/4885CYP2A6 3289/4885
US-20210188888-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, AOC2 CYP3A4 310/4885CYP2E1 154/4885CYP2A6 1217/4885
US-11834459-B2 Host materials for electroluminescent devices RPS4X, MLX, RPS4Y1 CYP3A4 1613/4885CYP2E1 991/4885CYP2A6 3289/4885

“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.