SCHEMBL8469732

SCHEMBL8469732

Cc1ccc(N(c2ccc(C)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CNR2 P34972 4/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CNR1 P21554 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL6353251 1.00 CES2 (0.48) CES2CES1ALDH1A1TSHRLMNA
SCHEMBL26306350 0.93 NPSR1 (0.44) CES2CES1ALDH1A1TSHRLMNA
SCHEMBL20059332 0.91 ALDH1A1 (0.46) CES2CES1ALDH1A1TSHRLMNA
SCHEMBL8187096 0.87 MAOA (0.50) CES2CES1ALDH1A1KDM4EMAPT
SCHEMBL14526489 0.87 MAOA (0.50) CES2CES1ALDH1A1KDM4EMAPT
SCHEMBL6123161 0.86 ALDH1A1 (0.61) ALDH1A1TSHRLMNAKDM4EMAPT
SCHEMBL666720 0.86 LMNA (0.57) CES2CES1ALDH1A1TSHRLMNA
SCHEMBL16982395 0.86 ALDH1A1 (0.61) ALDH1A1TSHRLMNAKDM4EMAPT
SCHEMBL7486403 0.86 ALDH1A1 (0.61) ALDH1A1TSHRLMNAKDM4EMAPT
SCHEMBL12240222 0.86 ALDH1A1 (0.61) ALDH1A1TSHRLMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5999780-A Controllably conductive polymer compositions for development systems XEROX CORPORATION (US) 1999-12-07 — — US claimed
US-5834080-A Controllably conductive polymer compositions for development systems XEROX CORPORATION (US) 1998-11-10 — — US claimed
US-10032989-B2 Spirobifluorene derivative-based materials for electronic devices MERCK PATENT GMBH (DE) 2018-07-24 — — US disclosed
US-10032989-B2 Spirobifluorene derivative-based materials for electronic devices MERCK PATENT GMBH (DE) 2018-07-24 — — US disclosed
US-20180026188-A1 SPIROBIFLUORENE DERIVATIVE-BASED MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20180026188-A1 SPIROBIFLUORENE DERIVATIVE-BASED MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
WO-2016131521-A1 SPIROBIFLUORENE DERIVATIVE-BASED MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 — — WO disclosed
US-5999780-A Controllably conductive polymer compositions for development systems XEROX CORPORATION (US) 1999-12-07 — — US disclosed
US-5834080-A Controllably conductive polymer compositions for development systems XEROX CORPORATION (US) 1998-11-10 — — 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 (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-20180026188-A1 SPIROBIFLUORENE DERIVATIVE-BASED MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, PKD1 CES2 1665/4885CES1 4484/4885ALDH1A1 107/4885
US-10032989-B2 Spirobifluorene derivative-based materials for electronic devices SDHB, SDHA, PKD1 CES2 1665/4885CES1 4484/4885ALDH1A1 107/4885

“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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