SCHEMBL6686754

SCHEMBL6686754

Cc1cc(Cl)ccc1OCCC[C]=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 4/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 2/20 0.50
GAA P10253 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL22135588 0.84 KDM4E (0.64) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL11223887 0.83 MAPT (0.55) KDM4ETP53ALDH1A1KMT2AHPGD
SCHEMBL3434867 0.81 KDM4E (0.50) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL8347835 0.80 KDM4E (0.59) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL96583 0.79 MAPT (0.54) KDM4ETP53ALDH1A1KMT2AHPGD
SCHEMBL25261375 0.78 KDM4E (0.61) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL8234481 0.78 KDM4E (0.56) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL22557984 0.77 KDM4E (0.57) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL14015785 0.77 KDM4E (0.56) KDM4ETP53ALOX15ALDH1A1MEN1
Bicarbonate SCHEMBL5074471 0.76 KDM4E (0.63) KDM4ETP53ALOX15ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186151-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-23 US claimed
WO-2004071448-A2 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES TRANSTECH PHARMA INC. (US) 2004-08-26 WO claimed
EP-3956294-A1 CONJUGATES OF AUXIN ANALOGS The State of Israel, Ministry of Agriculture and Rural Development, Agricultural Research Organization (ARO) (Volcani Center) (IL) 2022-02-23 EP disclosed
US-20220030866-A1 CONJUGATES OF AUXIN ANALOGS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (IL) 2022-02-03 US disclosed
WO-2020212993-A1 CONJUGATES OF AUXIN ANALOGS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-10-22 WO disclosed
US-20040186151-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-23 US disclosed
WO-2004071448-A2 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed
US-4349488-A Process for producing esters of 3,5-dibromo-4-hydroxybenzonitrile GREAT LAKES CHEMICAL CORPORATION (US) 1982-09-14 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 (2 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-20220030866-A1 CONJUGATES OF AUXIN ANALOGS CROCC, CCNY, AGXT KDM4E 3338/4885TP53 4033/4885ALOX15 2518/4885
US-20040186151-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ KDM4E 672/4885TP53 1088/4885ALOX15 2189/4885

“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.