Sugi Predict

Sugi Predict / Compounds / SCHEMBL10028186

SCHEMBL10028186

SCHEMBL10028186

c1cc2ccc3oc4c(-c5ccc6ccc7oc8cccc9ccc%10oc5c6c7-c%10c98)ccc5ccc6oc(c1)c2c3-c6c54

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ TYMS P04818 2/20 0.35
▸ MAPK1 P28482 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CA12 O43570 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA3 P07451 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA6 P23280 2/20 0.32
▸ CA5A P35218 2/20 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
SCHEMBL29737512 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10028079 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10028187 0.83 MAOA (0.40) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10028183 0.83 MAOA (0.40) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10028194 0.82 ALDH1A1 (0.34) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10028243 0.82 ALDH1A1 (0.33) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10062248 0.82 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10028200 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10028182 0.81 CDC14B (0.38) ALDH1A1CYP1A2CYP1A1KDM4E
SCHEMBL16080661 0.79 CDC14B (0.39) ALDH1A1CYP1A2CYP1A1KDM4E

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
EP-2046915-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-02 — — EP disclosed
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
WO-2008011964-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-31 — — WO 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 ALDH1A1 220/4885HSD17B10 2763/4885TSHR 4729/4885

“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.