SCHEMBL877603

SCHEMBL877603

O=C1OCCC1Sc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 4/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MC4R P32245 1/20 0.40

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
SCHEMBL15746491 0.83 DDB1 (0.51) POLBCYP2C19CYP1A2DDB1CRBN
SCHEMBL4491902 0.83 KMT2A (0.44) POLBCYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL4501819 0.83 KMT2A (0.44) POLBCYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL873535 0.83 DDB1 (0.51) POLBCYP2C19CYP1A2DDB1CRBN
SCHEMBL875841 0.83 MAPK1 (0.58) POLBCYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL7981025 0.82 MAPK1 (0.56) POLBCYP2C19DDB1CRBNALDH1A1
SCHEMBL31708217 0.80 HSD17B10 (0.44) POLBCYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL14517050 0.79 ALDH1A1 (0.56) POLBCYP2C19CYP1A2DDB1CRBN
SCHEMBL4507645 0.79 DDB1 (0.55) POLBCYP2C19CYP1A2DDB1CRBN
SCHEMBL5569137 0.79 KMT2A (0.42) POLBCYP2C19CYP1A2ALDH1A1KMT2A

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-20240018081-A1 METHOD FOR PRODUCING ORGANIC FLUORINE COMPOUNDS DAIKIN INDUSTRIES, LTD. (JP) 2024-01-18 US disclosed
EP-2619177-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038943-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 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-20240018081-A1 METHOD FOR PRODUCING ORGANIC FLUORINE COMPOUNDS PFAS, FBL, FLNB POLB 155/4885CYP2C19 696/4885CYP1A2 631/4885

“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.