SCHEMBL21141809

SCHEMBL21141809

CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 4/20 0.37
ALOX15 P16050 2/20 0.37
CYP2A6 P11509 1/20 0.36
CYP2A13 Q16696 1/20 0.36
PCSK9 Q8NBP7 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 3/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ANPEP P15144 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL16709168 0.82 ALOX15 (0.34) ALDH1A1KDM4ETSHRALOX15NPC1
Hydrochloric Acid SCHEMBL3641398 0.79 DPP4 (0.36) ALDH1A1TSHRALOX15CYP2A6LMNA
SCHEMBL21469012 0.79 PCSK9 (0.46) ALDH1A1KDM4EGAATSHRCYP2A6
SCHEMBL2040213 0.78 ALDH1A1 (0.49) ALDH1A1TSHRALOX15FLT1
SCHEMBL20143726 0.77 CYP3A4 (0.46) ALDH1A1TSHRALOX15CYP2A6LMNA
SCHEMBL21647270 0.77 ALDH1A1 (0.48) ALDH1A1TSHRALOX15FLT1
SCHEMBL21131348 0.77 KDR (0.40) ALDH1A1KDM4EGAATSHRALOX15
SCHEMBL30125198 0.77 ALDH1A1 (0.48) ALDH1A1TSHRALOX15FLT1
SCHEMBL30024343 0.77 ALDH1A1 (0.48) ALDH1A1TSHRALOX15FLT1
SCHEMBL29373868 0.77 ALDH1A1 (0.48) ALDH1A1TSHRALOX15FLT1

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-11685756-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-06-27 US disclosed
US-20190189935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-06-20 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-11685756-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OPRD1 ALDH1A1 2254/4885KDM4E 3754/4885GAA 3803/4885
US-20190189935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OR10J3, OXER1, CHRM4 ALDH1A1 1404/4885KDM4E 2958/4885GAA 3155/4885

“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.