SCHEMBL7558758

SCHEMBL7558758

CC(OC=O)OC(=O)OCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
CTDSP1 Q9GZU7 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
MAPT P10636 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 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
SCHEMBL8848171 0.92 CTSK (0.47) CTSKSMN1; SMN2NPC1RAB9AAKR1B10
SCHEMBL8847571 0.83 ALDH1A1 (0.49) LMNAALDH1A1KMT2A
SCHEMBL7438421 0.81 LMNA (0.50) CTSKLMNASMN1; SMN2NPC1RECQL
SCHEMBL9139291 0.81 FAAH (0.50) LMNASMN1; SMN2KMT2A
SCHEMBL2906461 0.78 LMNA (0.64) CTSKLMNASMN1; SMN2NPC1RECQL
SCHEMBL9136464 0.77 TDP1 (0.51) ALDH1A1KMT2A
SCHEMBL983638 0.77 LMNA (0.72) LMNASMN1; SMN2NPC1RECQLRAB9A
SCHEMBL5727347 0.75 TSHR (0.33)
SCHEMBL873707 0.75 LMNA (0.64) CTSKLMNASMN1; SMN2NPC1RECQL
SCHEMBL8848004 0.74 LMNA (0.55) CTSKLMNASMN1; SMN2NPC1RECQL

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
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B CTSK 2753/4885LMNA 3740/4885SMN1; SMN2 4469/4885

“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.