SCHEMBL5440308

SCHEMBL5440308

CCCC(C)CC1NC1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRB3 P28472 1/20 0.33
OPRD1 P41143 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
LMNA P02545 1/20 0.32
ROCK2 O75116 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL5450009 0.88 KDM4E (0.40) KDM4EALDH1A1LMNAMEN1MAPT
SCHEMBL5437155 0.82
SCHEMBL5924293 0.77 ROCK2 (0.32) ROCK2
SCHEMBL5443945 0.77
SCHEMBL4007879 0.72 ITGB1 (0.37) TSHRKDM4EALDH1A1CYP3A4GABRB3
SCHEMBL163425 0.72 MEN1 (0.41) GAACYP3A4LMNAMEN1KMT2A
SCHEMBL27667274 0.71 HRH3 (0.37)
SCHEMBL24963632 0.70 CCR2 (0.35) TSHR
SCHEMBL5448930 0.70 PKM (0.31) KDM4EALDH1A1MEN1MAPTPKM
SCHEMBL11614859 0.69 MAPT (0.33) TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
EP-1682473-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF Aktiengesellschaft (DE) 2006-07-26 EP disclosed
WO-2005042454-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
US-4058462-A System for sustained release of phenolic material from porous granules of insoluble polymeric phenolic complexes GAF CORPORATION (US) 1977-11-15 US disclosed
US-3985540-A Metal complexes of hydroxyquinoline and polymeric porous granules GAF CORPORATION (US) 1976-10-12 US disclosed
US-3970606-A N-vinyl lactam interpolymers useful as thickening agents GAF CORPORATION (US) 1976-07-20 US disclosed
US-3954682-A GRANULES OR BEADS GAF CORPORATION (US) 1976-05-04 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-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls HAO2, DAO, DDO TSHR 4069/4885KDM4E 2614/4885ALDH1A1 1084/4885

“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.