SCHEMBL17307992

SCHEMBL17307992

CCCCCCCCCCCCCCOCCOCCOS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MMP9 P14780 1/20 0.56
ALOX15 P16050 1/20 0.56
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
CA1 P00915 10/20 0.50
CA2 P00918 10/20 0.50
CA9 Q16790 8/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50

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
SCHEMBL16865703 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL863066 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL28424854 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL8913132 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL20895660 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL15923443 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL20145782 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL12589725 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL9999947 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL25991311 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA

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-3148337-B1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL AND BACTERIAL DISEASES IN PLANTS BAYER CROPSCIENCE LP (US) 2019-05-08 EP disclosed
US-20170327840-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL AND BACTERIAL DISEASES IN PLANTS Bayer CropScience LLC 2017-11-16 US disclosed
US-9745597-B2 Compositions and methods for controlling fungal and bacterial diseases in plants BAYER CROPSCIENCE LP (US) 2017-08-29 US disclosed
US-20150344905-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL AND BACTERIAL DISEASES IN PLANTS Bayer CropScience LLC 2015-12-03 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-20150344905-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL AND BACTERIAL DISEASES IN PLANTS BROX, GBA3, GANC TSHR 4582/4885KDM4E 3862/4885USP2 2232/4885
US-20170327840-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL AND BACTERIAL DISEASES IN PLANTS BROX, GBA3, GANC TSHR 4582/4885KDM4E 3862/4885USP2 2232/4885

“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.