SCHEMBL19629535

SCHEMBL19629535

c1ccc2c3c(ncc2c1)CCN3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ GPR3 P46089 1/20 0.42
▸ HTR2C P28335 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ PDE4B Q07343 3/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NISCH Q9Y2I1 4/20 0.35
▸ CYP2A6 P11509 1/20 0.33
▸ F12 P00748 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ BACE1 P56817 1/20 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
SCHEMBL10377744 0.91 KDM4E (0.39) KDM4EGPR3HTR2CCYP1A2PDE4B
SCHEMBL7594487 0.76 CYP11B1 (0.42) KDM4EGPR3CYP1A2PDE4BPARP1
SCHEMBL7470209 0.73 KDM4E (0.42) KDM4EGPR3HTR2CCYP1A2NISCH
SCHEMBL18576434 0.71 KDM4E (0.47) KDM4EGPR3CYP1A2PDE4BPARP1
SCHEMBL10377659 0.69 ACHE (0.38) TDP1CHRM1
SCHEMBL10379456 0.69 KMT2A (0.38) HTR2CPARP1ALDH1A1
SCHEMBL10687008 0.69 ACHE (0.38) ALDH1A1HSD17B10TDP1
SCHEMBL10379440 0.69 ACHE (0.38) CYP1A2PARP1NOS1CHRM1
SCHEMBL10692924 0.69 ACHE (0.38) CYP1A2PLAUNCF1NOS1
SCHEMBL634543 0.69 HSD17B10 (0.42) HTR2CCYP1A2PARP1ALDH1A1HSD17B10

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-20170335193-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM ZEON CORPORATION (JP) 2017-11-23 — — 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-20170335193-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM NR2E3, NR3C2, NR2C2 KDM4E 3822/4885GPR3 257/4885HTR2C 766/4885

“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.

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