SCHEMBL19078588

SCHEMBL19078588

CCCCc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)c4ccc5c(c4)CC5)cc3)c3ccc4c(c3)CC4)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 3/20 0.50
▸ BCHE P06276 2/20 0.41
▸ DRD3 P35462 4/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CHRM1 P11229 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
SCHEMBL13174534 0.94 MLNR (0.54) MLNRDRD3DRD2HTR2AHTR2C
SCHEMBL18725679 0.88 MLNR (0.50) MLNRDRD3DRD2HTR2AHTR2C
SCHEMBL17852991 0.86 MLNR (0.48) MLNRDRD3DRD2HTR2AHTR2C
SCHEMBL13174503 0.85 MLNR (0.47) MLNRDRD3DRD2HTR2AHTR2C
SCHEMBL17987014 0.84 TP53 (0.42) MLNRDRD3DRD2HTR2CCYP1A2
SCHEMBL10042890 0.84 BCHE (0.47) BCHEDRD3DRD2TRPV1HSD11B1
SCHEMBL987390 0.84 KCNH2 (0.52) BCHEDRD3TRPV1HTR2AHSD11B1
SCHEMBL1170313 0.84 KCNH2 (0.52) BCHEDRD3TRPV1HTR2AHSD11B1
SCHEMBL10358429 0.84 KCNH2 (0.52) BCHEDRD3TRPV1HTR2AHSD11B1
SCHEMBL10042891 0.84 KCNH2 (0.52) BCHEDRD3TRPV1HTR2AHSD11B1

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-10431760-B2 Light emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-10-01 — — US disclosed
US-20170194584-A1 LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-06 — — US disclosed
US-20170194584-A1 LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-06 — — 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-10431760-B2 Light emitting device CRY1, CCNE2, L1CAM MLNR 3582/4885BCHE 3715/4885DRD3 1145/4885
US-20170194584-A1 LIGHT EMITTING DEVICE CRY1, CCNE2, L1CAM MLNR 3582/4885BCHE 3715/4885DRD3 1145/4885

“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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