SCHEMBL25817332

SCHEMBL25817332

Cc1ccc(-c2nc(C(C)(C)C)nc(C(C)(C)C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ADORA1 P30542 1/20 0.39
PTBP1 P26599 1/20 0.39
CYP2C19 P33261 1/20 0.39
TNFSF10 P50591 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL25762593 0.96 NPC1 (0.42) NPC1RAB9ATSHRCYP1A2HPGD
SCHEMBL25490530 0.88 L3MBTL1 (0.53) NPC1RAB9ACYP1A2HPGDCYP1A1
SCHEMBL25765455 0.87 L3MBTL1 (0.52) NPC1RAB9ACYP1A2HPGDCYP1A1
SCHEMBL25833145 0.84 ADORA3 (0.36) NPC1RAB9ATSHRCYP1A2HPGD
SCHEMBL25817344 0.83 RAB9A (0.62) NPC1RAB9ATSHRHPGDALDH1A1
SCHEMBL9849715 0.83 CYP1A2 (0.40) NPC1RAB9ACYP1A2HPGDCYP1A1
SCHEMBL22129836 0.81 NPC1 (0.41) NPC1RAB9ACYP1A2HPGDCYP1A1
SCHEMBL25817457 0.81 L3MBTL1 (0.48) NPC1RAB9AHPGDNFKB1NFKB2
SCHEMBL28078243 0.81 RAB9A (0.42) NPC1RAB9ACYP1A2HPGDCYP1A1
SCHEMBL25817366 0.81 L3MBTL1 (0.48) NPC1RAB9AHPGDNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844272-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 US disclosed
US-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 US disclosed
US-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, AOC2, EPCAM NPC1 3348/4885RAB9A 3591/4885TSHR 4295/4885
US-11844272-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device PIEZO1, LEF1, ODC1 NPC1 2881/4885RAB9A 3468/4885TSHR 4512/4885

“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.