SCHEMBL6744370

SCHEMBL6744370

Cc1ccc(C)c(OCC(=O)O)c1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 2/20 0.48
CD69 Q07108 3/20 0.47
MCL1 Q07820 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.45
ACLY P53396 1/20 0.44
POLB P06746 1/20 0.43
PTPN1 P18031 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL7390249 0.87 SCN5A (0.54) SMN1; SMN2NPC1RAB9AKMT2ACD69
SCHEMBL14060872 0.87 L3MBTL1 (0.47) SMN1; SMN2KMT2ACD69TSHRPOLB
SCHEMBL7288512 0.82 L3MBTL1 (0.50) SMN1; SMN2KMT2AMCL1TSHRHTT
SCHEMBL830740 0.82 KMT2A (0.60) SMN1; SMN2NPC1RAB9AKMT2ACD69
SCHEMBL7390982 0.80 KMT2A (0.44) SMN1; SMN2NPC1RAB9AKMT2ATSHR
SCHEMBL14042532 0.79 PTGDR2 (0.45) SMN1; SMN2KMT2ACD69MCL1ALDH1A1
SCHEMBL14750655 0.79 CD69 (0.46) SMN1; SMN2KMT2ACD69MCL1HTT
SCHEMBL16784835 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ATSHRALDH1A1ALOX15
SCHEMBL10459386 0.76 L3MBTL1 (0.47) SMN1; SMN2KMT2AMCL1TSHRHTT
SCHEMBL28044483 0.76 KMT2A (0.53) SMN1; SMN2NPC1RAB9AKMT2ACD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed
EP-0413839-A1 GHRH analogs The Administrators of The Tulane Educational Fund (US) 1991-02-27 EP disclosed
US-4914189-A STIMULATES RELEASE OF GROWTH HORMONE THE ADMINSTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1990-04-03 US disclosed
EP-0277626-A2 Synthetic GHRH analogs The Administrators of The Tulane Educational Fund (US) 1988-08-10 EP 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC SMN1; SMN2 3669/4885NPC1 411/4885RAB9A 2541/4885

“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.