SCHEMBL2531412

SCHEMBL2531412

CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ POLB P06746 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RXRA P19793 3/20 0.34

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
SCHEMBL2580211 0.92 SRD5A1 (0.37) MAPTKDM4EHTR7MEN1KMT2A
SCHEMBL2530136 0.90 KDM4E (0.33) MAPTKDM4EHTR7MEN1KMT2A
SCHEMBL2531308 0.90 KMO (0.43) MAPTKDM4EHTR7MEN1KMT2A
SCHEMBL14331318 0.89 SIRT2 (0.39) HTR7MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2532994 0.88 TTR (0.37) MAPTKDM4EHTR7MEN1KMT2A
SCHEMBL12289256 0.88 LDHA (0.33) MAPTKDM4EHTR7MEN1KMT2A
SCHEMBL15509491 0.87 KDM4E (0.33) MAPTKDM4EHTR7MEN1KMT2A
SCHEMBL2530126 0.86 ALDH1A1 (0.40) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL2531433 0.86 CTNNB1 (0.38) ALDH1A1
SCHEMBL2535550 0.86 RXRA (0.39) RXRARARBRARGRARASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 — — EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 — — US disclosed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 — — EP disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 — — US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 — — US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 — — WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 — — 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MAPT 3094/4885KDM4E 796/4885HTR7 428/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MAPT 3094/4885KDM4E 796/4885HTR7 428/4885

“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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