SCHEMBL5778963

SCHEMBL5778963

CC[CH]Oc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TFEB P19484 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL5778260 0.83 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL2781190 0.80 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL4887282 0.80 MAPT (0.53) CA1CA2CA12ALDH1A1L3MBTL1
SCHEMBL9317193 0.78 TSHR (0.41) ALDH1A1TDP1TSHRSMN1; SMN2CYP1A2
1,2-Dimethoxybenzene SCHEMBL27576916 0.78 CA1 (0.81) CA1CA2CA7CA9CA12
SCHEMBL8145933 0.78 CA1 (0.50) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27275894 0.77 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL4065849 0.77 ALDH1A1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL7499255 0.77 L3MBTL1 (0.47) ALDH1A1L3MBTL1MAPK1HTTTDP1
SCHEMBL1702501 0.77 CA2 (0.50) CA1CA2CA7CA9CA12

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 8 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-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS 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
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN CA1 4274/4885CA2 1763/4885CA7 3901/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CA1 4127/4885CA2 952/4885CA7 2650/4885

“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.