SCHEMBL20199887

SCHEMBL20199887

C/C=C/C=C/C1=CC2=CC(=O)[C@@]3(C)OC(=O)C(C(C)=O)=C3C2=CO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.46
▸ MEN1 O00255 8/20 0.41
▸ KMT2A Q03164 8/20 0.41
▸ MAPT P10636 7/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ RECQL P46063 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ POLB P06746 4/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ APEX1 P27695 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ PLEC Q15149 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.31

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
Trichoflectin SCHEMBL18270615 0.92 PTPN11 (0.51) PTPN11MEN1KMT2AMAPTALDH1A1
SCHEMBL30354677 0.72 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1RECQL
T22Azaphilone SCHEMBL20203753 0.67 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1RECQL
T22Azaphilone SCHEMBL20199945 0.67 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1RECQL
T22Azaphilone SCHEMBL20199933 0.67 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1RECQL
T22Azaphilone SCHEMBL18270620 0.67 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1RECQL
SCHEMBL31499104 0.60 KDM4E (0.39) PTPN11MEN1KMT2AMAPTALDH1A1
SCHEMBL29664093 0.59 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1RECQL
SCHEMBL10001340 0.50 LMNA (0.45) KMT2AMAPTALDH1A1TDP1
Bicarbonate SCHEMBL11384291 0.49 MAOB (0.61) MAPTALDH1A1RECQLTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11019825-B2 Product ALPHA BIOPESTICIDES LIMITED (GB) 2021-06-01 — — US disclosed
US-20180146683-A1 NEW PRODUCT ALPHA BIOPESTICIDES LIMITED (GB) 2018-05-31 — — US disclosed
US-20180146683-A1 NEW PRODUCT ALPHA BIOPESTICIDES LIMITED (GB) 2018-05-31 — — 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-20180146683-A1 NEW PRODUCT CYP51A1, ERG28, FASN PTPN11 4549/4885MEN1 3789/4885KMT2A 2122/4885
US-11019825-B2 Product ERG28, FASN, CYP51A1 PTPN11 4644/4885MEN1 2855/4885KMT2A 1852/4885

“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.

Send feedback