SCHEMBL5775772

SCHEMBL5775772

CC(=O)OCCc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
RAD52 P43351 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1B10 O60218 1/20 0.37

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
SCHEMBL4788495 0.89 TNKS2 (0.48) ALDH1A1TSHRRAD52NPC1RAB9A
SCHEMBL4334600 0.82 HCAR2 (0.43) ALDH1A1TSHRHCAR2ESR1ESR2
SCHEMBL33451 0.82 THRB (0.47) ALDH1A1TSHRHCAR2ESR1ESR2
SCHEMBL27871396 0.81 TDP1 (0.42) ALDH1A1HCAR2ESR1ESR2TDP1
SCHEMBL9671422 0.80 ALDH1A1 (0.45) ALDH1A1TSHRHCAR2ESR1ESR2
SCHEMBL111422 0.80 ALDH1A1 (0.64) ALDH1A1TSHRRAD52HCAR2ESR1
SCHEMBL4351183 0.80 ALDH1A1 (0.64) ALDH1A1TSHRRAD52HCAR2ESR1
SCHEMBL3878195 0.80 ALDH1A1 (0.64) ALDH1A1HCAR2TDP1L3MBTL1CYP3A4
Benzene SCHEMBL19304565 0.80 ALDH1A1 (0.64) ALDH1A1TSHRRAD52HCAR2ESR1
SCHEMBL3164789 0.79 ALDH1A1 (0.44) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
EP-0108942-B1 CEPHALOSPORIN DERIVATIVES, METHODS OF PRODUCTION THEREOF AND PROPHYLACTIC AND THERAPEUTIC AGENTS FOR BACTERIAL INFECTION KYOTO PHARMA IND (JP) 1988-03-02 EP claimed
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
EP-0324431-B1 NEW INDOLYLPIPERIDINE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed
US-5017703-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-05-21 US disclosed
US-4935432-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-06-19 US disclosed
EP-0324431-A1 New indolylpiperidine compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-07-19 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 ALDH1A1 921/4885TSHR 3298/4885RAD52 4419/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 ALDH1A1 1486/4885TSHR 2359/4885RAD52 4527/4885

“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.