SCHEMBL2034770

SCHEMBL2034770

CC1(C(=O)Oc2cccc(Br)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 5/20 0.42
LMNA P02545 2/20 0.42
FAAH O00519 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOB P27338 2/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL21612891 0.83 GAA (0.47) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL4703469 0.81 CYP1A2 (0.43) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL18259718 0.78 L3MBTL1 (0.51) CYP1A2MAPTGAAKMT2AALDH1A1
SCHEMBL28000077 0.78 MAPT (0.43) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL2841534 0.78 CES2 (0.45) GAAKMT2AALDH1A1TSHRKDM4E
SCHEMBL498839 0.77 LMNA (0.63) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL8585753 0.76 ALDH1A1 (0.44) CYP1A2MAPTGAAKMT2AALDH1A1
SCHEMBL8579809 0.76 KMT2A (0.59) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL18241283 0.76 LIPG (0.41) KMT2ALMNAMEN1POLBCYP3A4
SCHEMBL3392975 0.75 MAPT (0.40) MAPTGAAKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 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-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885MAPT 1646/4885GAA 872/4885
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885MAPT 1646/4885GAA 872/4885
US-10450288-B2 Hydroxy formamide derivatives and their use BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885MAPT 1646/4885GAA 872/4885

“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.