SCHEMBL3847237

SCHEMBL3847237

CCOP(=O)(O)Cc1ccc2cc(C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.38
PPARD Q03181 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
EPHX2 P34913 1/20 0.35
HDAC1 Q13547 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL6045236 0.86 CYP2A6 (0.42) CYP2A6CYP1A2PTPN1SMN1; SMN2KDM4E
SCHEMBL915284 0.86 CYP1A2 (0.50) CYP2A6CYP1A2POLBPTPN1FNTA
SCHEMBL31688361 0.86 CYP1A2 (0.50) CYP2A6CYP1A2POLBPTPN1FNTA
SCHEMBL3842481 0.85 CETP (0.42) S1PR1S1PR3
SCHEMBL914541 0.83 PPARD (0.44) POLBPPARDKDM4EALDH1A1RAB9A
SCHEMBL8959089 0.81 IDO1 (0.43) SMN1; SMN2ALDH1A1HPGDPGK1PGK2
SCHEMBL17488978 0.79 PPARD (0.50) POLBPPARDSMN1; SMN2PGK1PGK2
SCHEMBL9166658 0.76 NPY5R (0.42) CYP2A6CYP1A2POLBPPARDHDAC1
SCHEMBL25922141 0.76 HMGCR (0.56) CYP2A6CYP1A2POLBEPHX2
SCHEMBL6045256 0.75 PPARD (0.50) POLBPPARDTDP1PGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778699-A4 TARGETING CHELANTS AND CHELATES DOW GLOBAL TECHNOLOGIES INC (US) 2009-02-25 EP disclosed
EP-1778699-A2 TARGETING CHELANTS AND CHELATES Dow Gloval Technologies Inc. (US) 2007-05-02 EP disclosed
US-20060210479-A1 Targeting chelants and chelates DOW GLOBAL TECHNOLOGIES INC. (US) 2006-09-21 US disclosed
WO-2006020779-A2 TARGETING CHELANTS AND CHELATES DOW GLOBAL TECHNOLOGIES INC. (US) 2006-02-23 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-20060210479-A1 Targeting chelants and chelates CLTC, CALCOCO2, TFRC CYP2A6 4582/4885CYP1A2 4844/4885POLB 2811/4885

“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.