SCHEMBL6841271

SCHEMBL6841271

COC(=O)c1cc(OCc2ccc3ccccc3c2)cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MAOB P27338 3/20 0.51
CYP19A1 P11511 2/20 0.50
MAOA P21397 2/20 0.49
ALDH1A1 P00352 1/20 0.47
CNR2 P34972 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
MCL1 Q07820 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL6836524 0.86 MAPT (0.58) MAPTMAOBCYP19A1MAOAALDH1A1
SCHEMBL6841844 0.85 MAPT (0.55) MAPTMAOBCYP19A1MAOAALDH1A1
SCHEMBL9370131 0.83 CASP3 (0.51) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL6942590 0.81 MAPT (0.46) MAPTMAOBCYP19A1MAOAALDH1A1
SCHEMBL708969 0.80 MAOB (0.49) MAOBALDH1A1MEN1KMT2APOLB
SCHEMBL7791330 0.79 RAB9A (0.62) MAPTMAOBALDH1A1MEN1KMT2A
SCHEMBL9599386 0.78 CNR2 (0.51) MAPTMAOBCYP19A1MAOACNR2
SCHEMBL16245017 0.78 KMT2A (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL417705 0.77 MAPT (0.60) MAPTMAOBMAOAALDH1A1MEN1
SCHEMBL16396138 0.77 HTT (0.59) MAPTMAOBMAOAALDH1A1POLB

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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 WO 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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAPT 1908/4885MAOB 1073/4885CYP19A1 418/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAPT 1908/4885MAOB 1073/4885CYP19A1 418/4885

“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.