SCHEMBL22282121

SCHEMBL22282121

c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7cc(-c8ccc9ccc(-c%10cccc%11cnccc%10%11)nc9c8)ccc7n6)cc5)nc4c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
AR P10275 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.38
TNF P01375 1/20 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
SCHEMBL23016209 0.97 NPC1 (0.42) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL22281878 0.96 NPC1 (0.43) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL22970151 0.95 CYP11B1 (0.42) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL24475468 0.94 NPC1 (0.41) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL24454323 0.94 NPC1 (0.41) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL24454197 0.94 NPC1 (0.41) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL24475723 0.92 TNF (0.49) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL24475397 0.90 IKBKE (0.41) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL23016128 0.89 IKBKE (0.41) NPC1RAB9AARCYP3A4CYP1A2
SCHEMBL24475645 0.88 CYP11B1 (0.42) NPC1RAB9AARCYP3A4CYP1A2

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-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-06-02 US disclosed
WO-2020153740-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 WO 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-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 NPC1 953/4885RAB9A 2499/4885AR 4306/4885

“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.