SCHEMBL2974200

SCHEMBL2974200

COc1ccc(Br)c2c1CC=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.38
ADRA1A P35348 4/20 0.37
CYP19A1 P11511 1/20 0.35
NQO2 P16083 2/20 0.35
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL2970791 0.85 KDM4E (0.45) KDM4ECYP1A2ADRA1ACYP19A1NQO2
SCHEMBL8908569 0.84 ADRA1A (0.42) KDM4EADRA1AALDH1A1GLAGAA
SCHEMBL2963162 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2966672 0.74
SCHEMBL7544325 0.73 ADRA1A (0.50) KDM4EADRA1AALDH1A1GLAGAA
SCHEMBL7544301 0.71 KDM4E (0.46) KDM4ECYP1A2ADRA1ACYP19A1NQO2
SCHEMBL3625139 0.71 ADRA1A (0.41) KDM4EADRA1AALDH1A1GLAGAA
SCHEMBL2964455 0.71
SCHEMBL2973447 0.70
SCHEMBL2970914 0.70 TUBB4A (0.35) KDM4EADRA1AALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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 (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-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E KDM4E 1306/4885CYP1A2 2362/4885ADRA1A 3479/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E KDM4E 1306/4885CYP1A2 2362/4885ADRA1A 3479/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 KDM4E 2177/4885CYP1A2 2409/4885ADRA1A 2301/4885

“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.