SCHEMBL2698770

SCHEMBL2698770

CC(C)(C)c1ccc(Cc2ccccc2C(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ ESRRG P62508 2/20 0.51
▸ SRD5A2 P31213 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44

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
SCHEMBL2700285 0.89 CYP1A2 (0.53) TSHRSRD5A2RAB9ALMNAL3MBTL1
SCHEMBL26134815 0.84 TSHR (0.69) TSHRSRD5A2LMNATDP1MAPT
SCHEMBL2703372 0.84 CYP1A2 (0.53) TSHRRAB9ALMNAMAPTNPSR1
SCHEMBL6272312 0.84 TSHR (0.62) TSHRTDP1MAPTL3MBTL1NPSR1
SCHEMBL27879975 0.83 TSHR (0.58) TSHRSRD5A2RAB9ATDP1MAPT
Butanedione SCHEMBL11340962 0.81 TSHR (0.56) TSHRLMNATDP1MAPTNPSR1
SCHEMBL11035548 0.81 TSHR (0.60) TSHRRAB9ALMNATDP1MAPT
SCHEMBL25625121 0.81 TSHR (0.60) TSHRRAB9ALMNATDP1MAPT
SCHEMBL27557414 0.79 ALDH1A1 (0.55) TSHRRAB9ALMNATDP1MAPT
SCHEMBL28041092 0.79 TSHR (0.56) TSHRTDP1MAPTL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 — — US disclosed
EP-2450356-A1 Carbazole and anthracene moiety containing light-emitting device material and light-emitting devices Toray Industries, Inc. (JP) 2012-05-09 — — EP disclosed
EP-1748045-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2012-05-02 — — EP disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 — — US disclosed
CN-1984897-B Light-emitting device material and light-emitting device TORAY INDUSTRIES 2010-10-27 — — CN disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 — — US disclosed
CN-1984897-A Light-emitting device material and light-emitting device TORAY INDUSTRIES (JP) 2007-06-20 — — CN disclosed
EP-1748045-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2007-01-31 — — EP 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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE CRY1, MMS19, CRY2 TSHR 3463/4885ESRRG 1665/4885SRD5A2 4090/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 TSHR 3149/4885ESRRG 1497/4885SRD5A2 2806/4885

“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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