SCHEMBL2851007

SCHEMBL2851007

CC(C)c1cccc(-c2c(Cl)cccc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CRHR1 P34998 1/20 0.39
PTPN5 P54829 2/20 0.39
FABP4 P15090 2/20 0.38
FABP3 P05413 1/20 0.38
CYP2C9 P11712 1/20 0.38
FABP5 Q01469 1/20 0.38
PTGES O14684 1/20 0.36
HDAC4 P56524 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MDM4 O15151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2842023 0.81 FABP3 (0.37) RXRARXRBRXRGCRHR1PTPN5
SCHEMBL2847939 0.80 RXRA (0.41) RXRARXRBRXRGPTPN5FABP4
SCHEMBL2849920 0.78 FABP3 (0.37) RXRARXRBRXRGCRHR1PTPN5
SCHEMBL2844519 0.77 L3MBTL1 (0.44) FABP4FABP3ALDH1A1HPGDSMN1; SMN2
SCHEMBL3569291 0.77 ALOX5 (0.41) TP53SMN1; SMN2
SCHEMBL26191583 0.75 ESR2 (0.41) FABP4FABP3FABP5ALDH1A1
SCHEMBL11454164 0.74 MAPK1 (0.44) FABP4FABP3FABP5KDM4EALDH1A1
SCHEMBL9261820 0.74 CYP2A6 (0.52) RXRARXRBRXRGPTPN5FABP4
SCHEMBL25906297 0.74 ALDH1A1 (0.52) RXRARXRBRXRGCRHR1PTPN5
SCHEMBL31232577 0.74 ALDH1A1 (0.52) RXRARXRBRXRGCRHR1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (5 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 RXRA 1022/4885RXRB 1257/4885RXRG 689/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 RXRA 2569/4885RXRB 2354/4885RXRG 2708/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP RXRA 2268/4885RXRB 2223/4885RXRG 2280/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 RXRA 2201/4885RXRB 2076/4885RXRG 2210/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP RXRA 2264/4885RXRB 2192/4885RXRG 2214/4885

“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.