SCHEMBL24475417

SCHEMBL24475417

c1cc(-c2ccc3ccc(-c4ccc5ccc(-c6ccc(-c7ccnc8c7ccc7cccnc78)cc6)nc5c4)cc3n2)c2cnccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.44
PIK3CA P42336 3/20 0.38
MAP4K4 O95819 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
TNIK Q9UKE5 1/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
TOP1 P11387 4/20 0.35
HTR2C P28335 2/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL24454297 0.97 TNF (0.43) TNFPIK3CAMAP4K4MINK1TNIK
SCHEMBL24475370 0.96 TNF (0.41) TNFPIK3CAMAP4K4MINK1TNIK
SCHEMBL23016134 0.93 TNF (0.43) TNFPIK3CAMAP4K4MINK1TNIK
SCHEMBL22281882 0.92 PIK3CA (0.38) TNFPIK3CAMAP4K4MINK1TNIK
SCHEMBL22281881 0.91 TNF (0.43) TNFPIK3CAMAP4K4MINK1TNIK
SCHEMBL24475606 0.89 TOP1 (0.40) CCR1CCR5CCR8L3MBTL1NPC1
SCHEMBL24475528 0.89 CCR1 (0.44) PIK3CACCR1CCR5CCR8L3MBTL1
SCHEMBL24453794 0.89 IKBKE (0.40) TNFPIK3CAMAP4K4MINK1TNIK
SCHEMBL24475579 0.88 PIK3CA (0.38) PIK3CAMAP4K4MINK1TNIKCCR1
SCHEMBL24475594 0.87 TNF (0.39) TNFPIK3CAMAP4K4MINK1TNIK

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 1 patent. 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

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 TNF 4042/4885PIK3CA 3064/4885MAP4K4 1368/4885

“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.