SCHEMBL2700285

SCHEMBL2700285

CC(C)(C)c1ccc(Cc2ccccc2C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 2/20 0.50
▸ TSHR P16473 1/20 0.49
▸ NR4A1 P22736 1/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ CNR1 P21554 2/20 0.42

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
SCHEMBL2698770 0.89 TSHR (0.54) CYP1A2CYP2C19MEN1KMT2APOLB
SCHEMBL11464001 0.82 TSHR (0.54) CYP1A2CYP2C19MEN1KMT2ATSHR
SCHEMBL2703372 0.82 CYP1A2 (0.53) CYP1A2CYP2C19MEN1KMT2ATSHR
SCHEMBL23736317 0.78 POLB (0.53) CYP1A2CYP2C19MEN1KMT2APOLB
SCHEMBL9395070 0.77 POLB (0.72) CYP1A2CYP2C19MEN1KMT2APOLB
SCHEMBL28423617 0.76 TSHR (0.60) CYP1A2CYP2C19MEN1KMT2ATSHR
SCHEMBL26134815 0.76 TSHR (0.69) CYP1A2CYP2C19TSHRALDH1A1L3MBTL1
SCHEMBL11543540 0.75 ALDH1A1 (0.48) MEN1KMT2ATSHRRAB9ANPC1
SCHEMBL5697535 0.75 NR4A1 (0.61) CYP1A2CYP2C19MEN1KMT2ANR4A1
SCHEMBL10445015 0.75 TP53 (0.58) MEN1KMT2APOLBRAB9ANPC1

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
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
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 — — US 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 CYP1A2 400/4885CYP2C19 49/4885MEN1 469/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 CYP1A2 201/4885CYP2C19 78/4885MEN1 1379/4885

“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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