SCHEMBL877644

SCHEMBL877644

O=C1OCCC1Oc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAOB P27338 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ROCK2 O75116 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
SCHEMBL6903494 0.98 KDM4E (0.40) KDM4EALDH1A1MAPTGAATP53
SCHEMBL4493171 0.83 POLB (0.38) KDM4EALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL4503380 0.83 POLB (0.41) KDM4EALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL694533 0.83 POLB (0.41) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL4493176 0.83 POLB (0.38) KDM4EALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL10174373 0.83 SMN1; SMN2 (0.43) KDM4EALDH1A1MAPTMAPK1POLB
SCHEMBL13131163 0.83 POLB (0.38) KDM4EALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL3971854 0.83 SMN1; SMN2 (0.41) KDM4EALDH1A1POLBSMN1; SMN2MAOB
SCHEMBL9417243 0.82 DDB1 (0.47) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL13131091 0.81 POLB (0.38) KDM4EALDH1A1MAPK1POLBSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
US-20130264547-A1 MATERIALS FOR AN ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTROLUMINESCENT, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS UDC IRELAND LIMITED (IE) 2013-10-10 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 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 (3 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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 KDM4E 3436/4885ALDH1A1 455/4885MAPT 3188/4885
US-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 KDM4E 3505/4885ALDH1A1 4748/4885MAPT 4025/4885
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 KDM4E 4398/4885ALDH1A1 2281/4885MAPT 2663/4885

“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.