SCHEMBL4819151

SCHEMBL4819151

CC1=C(C)C(Br)c2cccc(C)c21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.33
HTR2A P28223 4/20 0.33
HTR2B P41595 4/20 0.33
CD44 P16070 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
PBRM1 Q86U86 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 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
SCHEMBL29458527 0.77 ALDH1A1 (0.35) HTR2CHTR2AHTR2BCD44CYP1A2
SCHEMBL7258798 0.77 ALDH1A1 (0.35) HTR2CHTR2AHTR2BCD44CYP1A2
SCHEMBL7621162 0.75 HTR2C (0.33) HTR2CHTR2AHTR2BCD44CYP1A2
Hydrochloric Acid SCHEMBL6908390 0.73 HTR2C (0.32) HTR2CHTR2AHTR2BCD44CYP1A2
SCHEMBL7634417 0.73 HTR2C (0.32) HTR2CHTR2AHTR2BCD44CYP1A2
Hydrochloric Acid SCHEMBL9422128 0.73 HTR2C (0.32) HTR2CHTR2AHTR2BCD44CYP1A2
Hydrochloric Acid SCHEMBL9422127 0.72 HTR2C (0.31) HTR2CHTR2AHTR2BCD44CYP1A2
Hydrochloric Acid SCHEMBL7800065 0.72 HTR2C (0.31) HTR2CHTR2AHTR2BCD44CYP1A2
SCHEMBL8459260 0.72 HTR2C (0.34) HTR2CHTR2AHTR2BCD44CYP1A2
SCHEMBL7608876 0.72 HTR2C (0.31) HTR2CHTR2AHTR2BCD44CYP1A2

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
EP-1337536-B1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2012-09-12 EP disclosed
US-7390861-B2 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-06-24 US disclosed
US-20040033891-A1 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. 2004-02-19 US disclosed
EP-1337536-A1 CATIONIC GROUP-3 CATALYST SYSTEM ExxonMobil Chemical Patents Inc. (US) 2003-08-27 EP disclosed
WO-2002032909-A1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-04-25 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 (1 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-20040033891-A1 Cationic group-3 catalyst system COG3, ORC3, LIG3 HTR2C 2047/4885HTR2A 3492/4885HTR2B 2317/4885

“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.