SCHEMBL178030

SCHEMBL178030

CCC=Cc1ccccc1.CCC=Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.54
IDO1 P14902 2/20 0.52
PAM P19021 1/20 0.52
MAOB P27338 1/20 0.50
RELA Q04206 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHAT P28329 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14961 1.00 HTR2A (0.54) HTR2AIDO1PAMMAOBRELA
SCHEMBL455862 1.00 HTR2A (0.54) HTR2AIDO1PAMMAOBRELA
SCHEMBL4528665 1.00 HTR2A (0.54) HTR2AIDO1PAMMAOBRELA
Benzene SCHEMBL1226476 1.00 HTR2A (0.54) HTR2AIDO1PAMMAOBRELA
Benzene SCHEMBL1226473 1.00 HTR2A (0.54) HTR2AIDO1PAMMAOBRELA
SCHEMBL28363766 0.97 HTR2A (0.52) HTR2AIDO1PAMMAOBRELA
Hydrogen Sulfide SCHEMBL28289964 0.97 HTR2A (0.52) HTR2AIDO1PAMMAOBRELA
Butane SCHEMBL28785259 0.95 HTR2A (0.50) HTR2AIDO1PAMMAOBRELA
Water SCHEMBL28173279 0.95 HTR2A (0.50) HTR2AIDO1PAMMAOBRELA
Biphenyl SCHEMBL28843797 0.93 HTR2A (0.48) HTR2AIDO1PAMMAOBRELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492316-B2 Method for the fracture stimulation of a subterranean formation having a wellbore by using impact-modified thermoset polymer nanocomposite particles as proppants SUN DRILLING PRODUCTS CORPORATION (US) 2013-07-23 US disclosed
US-20130045901-A1 METHOD FOR THE FRACTURE STIMULATION OF A SUBTERRANEAN FORMATION HAVING A WELLBORE BY USING IMPACT-MODIFIED THERMOSET POLYMER NANOCOMPOSITE PARTICLES AS PROPPANTS SUN DRILLING PRODUCTS CORPORATION (US) 2013-02-21 US disclosed
US-20120010434-A1 PROCESS FOR PRODUCING BISPHENOL COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2012-01-12 US disclosed
EP-2390243-A1 PROCESS FOR PREPARING BISPHENOL Mitsubishi Chemical Corporation (JP) 2011-11-30 EP disclosed
US-8053483-B2 Gas adsorbent MITSUBISHI CHEMICAL CORPORATION (JP) 2011-11-08 US disclosed
US-20110256982-A1 INTERLOCK CIRCUIT FOR UTILITY VEHICLE PARK BRAKE DEERE & COMPANY 2011-10-20 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 (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-20120010434-A1 PROCESS FOR PRODUCING BISPHENOL COMPOUND SULT2A1, SULT1A1, PLPBP HTR2A 2587/4885IDO1 4562/4885PAM 319/4885

“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.