SCHEMBL16682978

SCHEMBL16682978

ICCCCCc1ccc2c(c1)CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.38
▸ IGF1R P08069 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ MLNR O43193 1/20 0.35
▸ CDK1 P06493 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 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
SCHEMBL15960474 1.00 GRIN2B (0.38) GRIN2BIGF1RALOX15SIGMAR1S1PR1
SCHEMBL19668939 1.00 GRIN2B (0.38) GRIN2BIGF1RALOX15SIGMAR1S1PR1
SCHEMBL16682944 0.84 ALDH1A1 (0.42) GRIN2BALOX15MLNRDRD2
SCHEMBL19996369 0.81 SLC6A2 (0.50) S1PR1MLNRDRD2SLC6A2HTR2A
SCHEMBL27391726 0.81 GRIN2B (0.38) GRIN2BIGF1RALOX15S1PR1MLNR
SCHEMBL16682975 0.81 GRIN2B (0.38) GRIN2BIGF1RALOX15S1PR1MLNR
SCHEMBL12588032 0.81 GRIN2B (0.38) GRIN2BIGF1RALOX15S1PR1MLNR
SCHEMBL12379609 0.81 GRIN2B (0.38) GRIN2BIGF1RALOX15S1PR1MLNR
SCHEMBL9711010 0.79 DRD2 (0.39) GRIN2BMLNRDRD2
SCHEMBL10169204 0.78 GRIN2B (0.38) GRIN2BIGF1RALOX15MLNRDRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9929347-B2 Polymer compound and light emitting element using same SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2018-03-27 — — US disclosed
US-9929347-B2 Polymer compound and light emitting element using same SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2018-03-27 — — US disclosed
US-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-30 — — US disclosed
US-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-30 — — 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-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME NAP1L4, AHR, NR0B1 GRIN2B 2099/4885IGF1R 541/4885ALOX15 856/4885

“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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