SCHEMBL6464753

SCHEMBL6464753

CCCCOc1c(F)cccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
CCNB2 O95067 2/20 0.47
CCNE2 O96020 2/20 0.47
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
CCNB1 P14635 2/20 0.47
CCND1 P24385 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
CCND2 P30279 2/20 0.47
CCND3 P30281 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 2/20 0.47
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MCL1 Q07820 1/20 0.46
ALB P02768 1/20 0.46

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
SCHEMBL10772991 0.94 PTPN1 (0.54) PTPN1PTPN11TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10581576 0.93 PTPN1 (0.53) PTPN1PTPN11TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10397752 0.93 PTPN1 (0.53) PTPN1PTPN11TSHRMEN1KMT2A
SCHEMBL28329494 0.92 ALB (0.47) RARARARBCCNB2CCNE2CDK1
SCHEMBL17980842 0.89 TSHR (0.53) PTPN11TSHRTDP1L3MBTL1KDM4E
SCHEMBL16481806 0.85 L3MBTL1 (0.50) TSHRL3MBTL1ALBKDM4EMEN1
SCHEMBL30075992 0.85 L3MBTL1 (0.50) TSHRL3MBTL1ALBKDM4EMEN1
SCHEMBL17274980 0.84 PTPN1 (0.46) RARARARBCCNB2CCNE2CDK1
SCHEMBL382128 0.83 KDM4E (0.57) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9774307 0.83 KMT2A (0.51) PTPN11TSHRTDP1L3MBTL1KDM4E

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-1238961-B1 Process for the preparation of benzyl esters of hydroxybenzoic acids BAYER CHEMICALS AG (DE) 2005-01-26 EP disclosed
US-6600064-B2 Reacting dibenzyl ethers with alkylcarbonyloxybenzoic or alkoxycarbonyloxybenzoic acids in the presence of one or more acids as catalyst BAYER AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed
EP-1238961-A1 Process for the preparation of benzyl esters of hydroxybenzoic acids Bayer Aktiengesellschaft (DE) 2002-09-11 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-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 RARA 298/4885RARB 185/4885CCNB2 3223/4885

“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.