SCHEMBL6920805

SCHEMBL6920805

CCCCCOc1nc(CCCCC)c(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ TLR8 Q9NR97 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ MEN1 O00255 2/20 0.32

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
SCHEMBL11601590 0.69 CDK1 (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL22166113 0.68 AGBL2 (0.37) KCNH2TDP1GCGRMEN1TSHR
SCHEMBL8112783 0.68 CNR2 (0.41) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL2364340 0.68 TLR8 (0.46) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9714713 0.68 TLR8 (0.55) TLR8KCNH2
SCHEMBL15579444 0.67 DHFR (0.43) TLR8TDP1MEN1KMT2AKDM4E
SCHEMBL29961911 0.67 TSHR (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL28389768 0.67 TSHR (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL12256271 0.65 THRA (0.41) TSHRPLA2G2A
SCHEMBL4779552 0.65 THRA (0.41) TSHRPLA2G2A

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-6673745-B2 Herbicidal 3,5-difluoropyridines BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 — — US disclosed
EP-0887343-B1 Herbicidal 3,5-difluoropyridines BASF AG (DE) 2003-06-11 — — EP disclosed
US-6310006-B1 CONTROLLING WEEDS AMERICAN CYANAMID COMPANY 2001-10-30 — — US disclosed
US-20010011064-A1 Herbicidal 3,5-difluoropyridines AMERICAN CYANAMID COMPANY (US) 2001-08-02 — — US disclosed
EP-0887343-A1 Herbicidal 3,5-difluoropyridines American Cyanamid Company (US) 1998-12-30 — — EP 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-20010011064-A1 Herbicidal 3,5-difluoropyridines DDT, CYP1B1, NQO2 CDK1 2142/4885CCNB1 503/4885CCNA2 1363/4885

“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.

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