SCHEMBL6840892

SCHEMBL6840892

COC(=O)c1cc(COc2ccccc2)cc(C(=O)OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
RAB9A P51151 6/20 0.59
MAPT P10636 5/20 0.59
MRGPRX4 Q96LA9 4/20 0.58
HIF1A Q16665 1/20 0.55
NPC1 O15118 4/20 0.54
RXFP1 Q9HBX9 2/20 0.54
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
MAOB P27338 2/20 0.51

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
SCHEMBL2650303 0.97 LMNA (0.61) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL183994 0.87 LMNA (0.70) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL6162284 0.85 SMN1; SMN2 (0.79) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL391547 0.84 MEN1 (0.71) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3129603 0.83 MEN1 (0.74) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL6841528 0.83 MEN1 (0.69) SMN1; SMN2MEN1KMT2ARAB9AMRGPRX4
SCHEMBL15163970 0.82 HPGD (0.56) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL978502 0.82 RAB9A (0.71) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL8900334 0.82 SMPD1 (0.60) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL976424 0.81 MAOB (0.73) LMNAHPGDMEN1KMT2AMRGPRX4

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 LMNA 4803/4885HPGD 384/4885SMN1; SMN2 4678/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 LMNA 4803/4885HPGD 384/4885SMN1; SMN2 4678/4885

“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.