Sugi Predict

Sugi Predict / Compounds / SCHEMBL10028134

SCHEMBL10028134

SCHEMBL10028134

c1ccc(-c2ccccc2-c2cc(-c3ccccc3)c3cc(-c4ccccc4)c4oc5c(-c6ccccc6-c6ccccc6)cc(-c6ccccc6)c6cc(-c7ccccc7)c7oc2c3c4-c7c65)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ AKR1B1 P15121 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HSD17B3 P37058 1/20 0.33
▸ SORD Q00796 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32

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
SCHEMBL10028129 0.93 GPR84 (0.38) GPR84CA12CA9AKR1B1TNF
SCHEMBL10028127 0.77 KCNA3 (0.40) CYP1A2MAOAMAOBALDH1A1HPGD
SCHEMBL10028131 0.75 GPR84 (0.41) GPR84MCL1CYP1A2MAOAMAOB
SCHEMBL10028126 0.75 CYP1A2 (0.38) PRKDCCA12CA9AKR1B1TNF
SCHEMBL16800976 0.73 HPGD (0.40) GPR84PRKDCCA12CA9AKR1B1
SCHEMBL10028124 0.72 CYP1A2 (0.43) GPR84CA12CA9AKR1B1TNF
SCHEMBL10028166 0.72 GPR84 (0.36) GPR84PRKDCCA12CA9TNF
SCHEMBL430107 0.72 SMN1; SMN2 (0.40) PRKDCCYP1A2GPR35NUDT1ALDH1A1
SCHEMBL16801195 0.69 ALDH1A1 (0.45) GPR84PRKDCCA12CA9TNF
SCHEMBL311167 0.69 BACE1 (0.48) ALDH1A1HPGDKDM4EMEN1MAPT

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-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 — — US disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 — — US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 — — US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 — — 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 GPR84 4063/4885PRKDC 4783/4885CA12 1439/4885

“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.