SCHEMBL12354660

SCHEMBL12354660

CC(C)(C)c1ccc2c(c1)c(=O)c1cc3c(cc12)c(=O)c1cc(C(C)(C)C)ccc13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ KIF11 P52732 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PON1 P27169 1/20 0.40
▸ PGR P06401 1/20 0.40

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
SCHEMBL7984814 0.84 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12363267 0.83 KIF11 (0.40) ALDH1A1KIF11HPGDALOX15HSD17B10
SCHEMBL28384010 0.79 KIF11 (0.59) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12181806 0.75 PON1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL31369143 0.75 KIF11 (0.65) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25243502 0.75 KIF11 (0.65) ALDH1A1NPC1KIF11HPGDTDP1
SCHEMBL30577798 0.75 KIF11 (0.65) ALDH1A1NPC1KIF11HPGDTDP1
SCHEMBL12181810 0.75 PON1 (0.57) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL31369133 0.75 KIF11 (0.65) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30577796 0.75 KIF11 (0.65) ALDH1A1NPC1KIF11HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475936-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-07-02 — — US disclosed
US-8475936-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-07-02 — — US disclosed
US-20110198571-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-08-18 — — 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-20110198571-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME OR10J3, HRH4, ZCCHC8 ALDH1A1 3146/4885NPC1 1984/4885PLA2G1B 2953/4885

“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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