SCHEMBL17758158

SCHEMBL17758158

C#CCOCc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ RXRA P19793 8/20 0.47
▸ RXRB P28702 7/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NR4A2 P43354 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ RXRG P48443 3/20 0.44

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
SCHEMBL22478741 0.84 PYCR1 (0.53) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9439348 0.82 ALDH1A1 (0.69) ALDH1A1RXRARXRBHPGDNR4A2
SCHEMBL3423851 0.82 TSHR (0.42) ALDH1A1NPC1POLBSMN1; SMN2
SCHEMBL17758155 0.80 HSD11B1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL26490218 0.79 IDO1 (0.46) ALDH1A1
SCHEMBL24474396 0.77 ALDH1A1 (0.62) ALDH1A1RXRARXRBHPGDNR4A2
SCHEMBL27832128 0.77 NR4A1 (0.67) ALDH1A1RXRARXRBHPGDNR4A2
SCHEMBL510248 0.77 LTA4H (0.36) ALDH1A1NPC1POLBSMN1; SMN2
SCHEMBL470893 0.77 TSHR (0.61) ALDH1A1NPC1POLBSMN1; SMN2
SCHEMBL31503049 0.76 TSHR (0.37) ALDH1A1RXRARXRBHPGDNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021413-B2 Benzylpropargylether as nitrification inhibitors BASF SE (DE) 2021-06-01 — — US disclosed
US-20210047192-A1 DELAYED RELEASE FORMULATION OF NITRIFICATION INHIBITORS BASF SE (DE) 2021-02-18 — — US disclosed
WO-2020127216-A1 METHOD AND COMPOUNDS TO INDUCE PLANT TOLERANCE AGAINST ARTHROPOD PESTS UNIVERSITEIT GENT (BE) 2020-06-25 — — WO disclosed
WO-2019174977-A1 DELAYED RELEASE FORMULATION OF NITRIFICATION INHIBITORS BASF SE (DE) 2019-09-19 — — WO disclosed
WO-2019174974-A1 METAL-ORGANIC-FRAMEWORK ZIF-8 AS NITRIFICATION INHIBITOR BASF SE (DE) 2019-09-19 — — WO disclosed
EP-3218329-B1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2019-01-09 — — EP disclosed
US-20170313631-A1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2017-11-02 — — US disclosed
US-20170313631-A1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2017-11-02 — — US disclosed
WO-2016075289-A1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2016-05-19 — — WO 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 (3 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-20210047192-A1 DELAYED RELEASE FORMULATION OF NITRIFICATION INHIBITORS NOS1, CYP4F8, NOS2 ALDH1A1 4671/4885RXRA 4832/4885RXRB 4780/4885
US-20170313631-A1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS NAT1, PAH, PFAS ALDH1A1 781/4885RXRA 4776/4885RXRB 4746/4885
US-11021413-B2 Benzylpropargylether as nitrification inhibitors NAT1, PAH, PFAS ALDH1A1 781/4885RXRA 4776/4885RXRB 4746/4885

“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