SCHEMBL22079686

SCHEMBL22079686

Cc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
NTSR1 P30989 1/20 0.44
TDP1 Q9NUW8 3/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RCE1 Q9Y256 1/20 0.41
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL20086819 1.00 HPRT1 (0.45) HPRT1NPC1RAB9ANTSR1TDP1
SCHEMBL22079954 1.00 HPRT1 (0.45) HPRT1NPC1RAB9ANTSR1TDP1
SCHEMBL18801418 0.98 HPRT1 (0.44) HPRT1NPC1RAB9ANTSR1TDP1
SCHEMBL20086814 0.96 TDP1 (0.43) HPRT1NPC1RAB9ANTSR1TDP1
SCHEMBL30368601 0.94 ALDH1A1 (0.42) HPRT1NPC1RAB9ATDP1CYP2C19
SCHEMBL13135372 0.92 ALDH1A1 (0.43) HPRT1NPC1RAB9ANTSR1TDP1
SCHEMBL403423 0.92 ALDH1A1 (0.41) HPRT1NPC1RAB9ATDP1CYP2C19
SCHEMBL19479339 0.92 RAB9A (0.47) HPRT1NPC1RAB9ANTSR1TDP1
SCHEMBL13751264 0.92 RAB9A (0.47) HPRT1NPC1RAB9ANTSR1TDP1
SCHEMBL17702105 0.92 RAB9A (0.47) HPRT1NPC1RAB9ANTSR1TDP1

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-11605780-B2 Compound, light-emitting element containing the same, display device, and lighting device TORAY INDUSTRIES, INC. (JP) 2023-03-14 US disclosed
US-20200185612-A1 COMPOUND, LIGHT-EMITTING ELEMENT CONTAINING THE SAME, DISPLAY DEVICE, AND LIGHTING DEVICE TORAY INDUSTRIES, INC. (JP) 2020-06-11 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-11605780-B2 Compound, light-emitting element containing the same, display device, and lighting device NR2E3, PER2, CRY2 HPRT1 444/4885NPC1 2024/4885RAB9A 3474/4885
US-20200185612-A1 COMPOUND, LIGHT-EMITTING ELEMENT CONTAINING THE SAME, DISPLAY DEVICE, AND LIGHTING DEVICE NR2E3, PER2, CRY2 HPRT1 444/4885NPC1 2024/4885RAB9A 3474/4885

“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.