SCHEMBL18812876

SCHEMBL18812876

CCCCc1cc(C)c(I)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SKP2 Q13309 1/20 0.52
PTGS2 P35354 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
GPR84 Q9NQS5 2/20 0.38
ALDH1A1 P00352 3/20 0.38
NFKB1 P19838 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL21286982 0.79 HPGD (0.48) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL18301326 0.78 SKP2 (0.53) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL200140 0.77 NPC1 (0.63) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL11701754 0.77 SKP2 (0.62) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL200139 0.77 HPGD (0.52) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL9542717 0.77 SKP2 (0.57) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL20779039 0.77 HPGD (0.47) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL2002090 0.77 HPGD (0.61) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL4421807 0.77 SKP2 (0.61) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL20779038 0.76 HPGD (0.50) NPC1MAPK1RAB9AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370484-B2 Polymer compound and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-06 US disclosed
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
EP-3165550-A1 POLYMERIC COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME Sumitomo Chemical Company Limited (JP) 2017-05-10 EP disclosed
CN-106661207-A Polymeric compound and light-emitting element using same 住友化学株式会社 2017-05-10 CN 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-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME ARL1, NMRAL1, RB1 NPC1 4726/4885MAPK1 1498/4885RAB9A 366/4885
US-10370484-B2 Polymer compound and light emitting device using the same ARL1, NMRAL1, RB1 NPC1 4726/4885MAPK1 1498/4885RAB9A 366/4885

“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.