SCHEMBL8996065

SCHEMBL8996065

CCOC(=O)C[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EEF2K O00418 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LDHA P00338 2/20 0.45
▸ LDHB P07195 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ FPR2 P25090 2/20 0.45
▸ DHODH Q02127 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 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
SCHEMBL8996091 1.00 EEF2K (0.46) EEF2KNPSR1LDHALDHBTHRB
SCHEMBL8121589 0.87 ALDH1A1 (0.47) MAPTALDH1A1TSHRNPC1LMNA
SCHEMBL9068379 0.81 NPSR1 (0.49) NPSR1LDHALDHBMAPTFPR2
SCHEMBL8996304 0.81 EEF2K (0.51) EEF2KLDHALDHBFNTAFNTB
SCHEMBL8996250 0.81 EEF2K (0.51) EEF2KLDHALDHBFNTAFNTB
SCHEMBL8996018 0.80 NPSR1 (0.50) NPSR1MAPTFPR2DHODHNPC1
SCHEMBL8996017 0.80 NPSR1 (0.50) NPSR1MAPTFPR2DHODHALDH1A1
SCHEMBL8996013 0.80 NPSR1 (0.50) NPSR1MAPTFPR2DHODHNPC1
SCHEMBL8996270 0.80 LDHA (0.47) EEF2KLDHALDHBFNTAFNTB
SCHEMBL8996302 0.80 LDHA (0.47) EEF2KLDHALDHBFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 — — US disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 — — US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 — — US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 — — 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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 EEF2K 115/4885NPSR1 2347/4885LDHA 1835/4885

“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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