Sugi Predict

Sugi Predict / Compounds / SCHEMBL15840228

SCHEMBL15840228

SCHEMBL15840228

CC(C)(C)c1ccc2[nH]c3c4c(ccc3c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.49
▸ MDH2 P40926 2/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP8 Q96LD8 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
SCHEMBL15840241 0.91 KIF11 (0.50) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL17034830 0.84 KIF11 (0.50) KIF11MDH2GABRA1GABRG2GABRB3
SCHEMBL21972858 0.84 BCHE (0.43) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL17379810 0.83 PIM3 (0.33) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL15840120 0.81 PDK2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17379705 0.81 PIM3 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29506370 0.80 KIF11 (0.45) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL31632211 0.80 KIF11 (0.45) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL15824466 0.80 KIF11 (0.45) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL17379752 0.80 AR (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227528-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2019-03-12 — — US disclosed
EP-2935276-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-01 — — EP disclosed
US-20150337197-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-26 — — US disclosed
US-20150337197-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-26 — — US disclosed
WO-2014094963-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-06-26 — — 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 (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-10227528-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM KIF11 2789/4885MDH2 304/4885GABRA1 3460/4885
US-20150337197-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EML4, L1CAM KIF11 3374/4885MDH2 425/4885GABRA1 3651/4885

“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.