SCHEMBL25501514

SCHEMBL25501514

OC1(c2c(-c3ccccc3)cccc2-c2ccc(Cl)cc2Cl)C2CC3CC(C2)CC1C3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
HSD11B1 P28845 3/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDK2 Q15119 2/20 0.36
DPP4 P27487 1/20 0.35
CNR1 P21554 2/20 0.35
MARS1 P56192 2/20 0.35
ORAI1 Q96D31 1/20 0.35
SRD5A2 P31213 1/20 0.35
KIF11 P52732 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL25501503 0.84 PDK2 (0.39) EDNRBEDNRAHSD11B1NPC1ALDH1A1
SCHEMBL22797180 0.83 CYP2A6 (0.43) HSD11B1ALDH1A1NPSR1PDK2
SCHEMBL25501497 0.82 PDK2 (0.44) EDNRBEDNRAHSD11B1NPC1ALDH1A1
SCHEMBL25501374 0.82 PDK2 (0.48) HSD11B1PDK2CNR1
SCHEMBL25501493 0.81 PDK2 (0.45) HSD11B1NPC1ALDH1A1TP53HPGD
SCHEMBL25501476 0.81 PDK2 (0.39) EDNRBEDNRAHSD11B1NPC1ALDH1A1
SCHEMBL25878965 0.80 PDK2 (0.42) HSD11B1PDK2FABP4
SCHEMBL25878966 0.78 PDK2 (0.42) HSD11B1ALDH1A1TP53NPSR1PDK2
SCHEMBL25962012 0.77 PDK2 (0.46) HSD11B1NPSR1PDK2FABP4
SCHEMBL24618107 0.76 PDK2 (0.48) HSD11B1PDK2

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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 US disclosed
US-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device MNS1, NOS1, NPM1 EDNRB 391/4885EDNRA 208/4885HSD11B1 4403/4885

“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.