SCHEMBL6085506

SCHEMBL6085506

CCOC(=O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 4/20 0.69
▸ HSPA1A P0DMV8 4/20 0.69
▸ HSPA8 P11142 2/20 0.69
▸ AR P10275 1/20 0.59
▸ MEN1 O00255 7/20 0.58
▸ POLB P06746 7/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ L3MBTL1 Q9Y468 5/20 0.57
▸ GAA P10253 1/20 0.57
▸ TDP1 Q9NUW8 3/20 0.48
▸ PTPN7 P35236 6/20 0.47
▸ BLM P54132 3/20 0.47
▸ NR4A1 P22736 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ BRCA1 P38398 2/20 0.47
▸ RECQL P46063 2/20 0.47

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
SCHEMBL6214303 0.83 GAPDH (0.57) GAPDHHSPA1AHSPA8ARMEN1
SCHEMBL6087749 0.82 HSPA1A (1.00) GAPDHHSPA1AHSPA8MEN1POLB
SCHEMBL6701529 0.81 HSPA1A (0.79) GAPDHHSPA1AHSPA8MEN1POLB
SCHEMBL6215376 0.80 POLB (0.77) GAPDHHSPA1AHSPA8ARMEN1
SCHEMBL6675758 0.79 GAPDH (0.56) GAPDHHSPA1AHSPA8ARMEN1
SCHEMBL6211359 0.79 GAPDH (0.41) GAPDHHSPA1AHSPA8MEN1POLB
SCHEMBL10053590 0.75 POLB (0.80) GAPDHHSPA1AHSPA8ARMEN1
SCHEMBL6214848 0.74 GAPDH (0.68) GAPDHHSPA1AHSPA8MEN1POLB
SCHEMBL23949487 0.72 KMT2A (1.00) GAPDHHSPA1AHSPA8ARMEN1
SCHEMBL10022369 0.72 POLB (0.75) GAPDHHSPA1AHSPA8ARMEN1

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-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 — — EP claimed
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 — — US claimed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 — — US claimed
US-7145011-B2 Method for the production of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acids GRUNENTHAL GMBH (DE) 2006-12-05 — — US disclosed
US-20050004366-A1 Method for the production of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acids PRZEWOSNY MICHAEL THOMAS (DE) 2005-01-06 — — US disclosed
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 — — US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 — — 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-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C GAPDH 1284/4885HSPA1A 3371/4885HSPA8 4627/4885
US-20050004366-A1 Method for the production of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acids CBR3, DDC, PCCA GAPDH 799/4885HSPA1A 3090/4885HSPA8 3607/4885

“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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