SCHEMBL5778264

SCHEMBL5778264

[CH2]CCCOc1ccccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MIF P14174 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 1/20 0.51
MTNR1A P48039 1/20 0.50

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
SCHEMBL2781192 0.94 L3MBTL1 (0.65) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL10394888 0.92 L3MBTL1 (0.62) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL2001469 0.89 L3MBTL1 (0.58) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL29742293 0.87 L3MBTL1 (0.70) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL29742239 0.87 L3MBTL1 (0.77) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL1592409 0.84 CA12 (0.68) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL11152823 0.83 L3MBTL1 (0.61) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL9907038 0.81 L3MBTL1 (0.63) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
1-Methoxy-2-Butoxybenzene SCHEMBL364856 0.81 L3MBTL1 (0.63) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL1545294 0.81 L3MBTL1 (0.63) L3MBTL1TDP1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US disclosed
US-4590291-A Thrombin inhibitory new dihydroxybenzene ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0054132-B1 PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-10-10 EP disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN L3MBTL1 4854/4885TDP1 4229/4885LMNA 1866/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 L3MBTL1 4859/4885TDP1 4579/4885LMNA 2783/4885

“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.