SCHEMBL22551378

SCHEMBL22551378

CNc1ccccc1.O=P(O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.53
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL37038 0.84 SRC (0.73) SRCTSHRKDM4EALDH1A1L3MBTL1
Benzene SCHEMBL11142811 0.84 SRC (0.73) SRCTSHRKDM4EALDH1A1L3MBTL1
SCHEMBL27676341 0.84 SRC (0.73) SRCTSHRKDM4EALDH1A1L3MBTL1
Methylamine SCHEMBL11592407 0.82 SRC (0.64) SRCALDH1A1L3MBTL1TDP1POLB
SCHEMBL23241864 0.82 SRC (0.70) SRCTSHRKDM4EALDH1A1L3MBTL1
SCHEMBL11317985 0.82 SRC (0.70) SRCTSHRKDM4EALDH1A1L3MBTL1
SCHEMBL150325 0.82 SRC (0.70) SRCTSHRKDM4EALDH1A1L3MBTL1
Water SCHEMBL7104000 0.82 SRC (0.70) SRCTSHRKDM4EALDH1A1L3MBTL1
SCHEMBL3961989 0.82 SRC (0.70) SRCTSHRKDM4EALDH1A1L3MBTL1
Phosphoric Acid SCHEMBL2168208 0.82 SRC (0.70) SRCTSHRKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644602-B Preparation method of dihydro isoxazole compound 帕潘纳(北京)科技有限公司 2024-09-03 CN disclosed
CN-114644602-A Preparation method of dihydro isoxazole compound 帕潘纳(北京)科技有限公司 2022-06-21 CN disclosed
US-10975041-B2 Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-04-13 US disclosed
US-20210047280-A1 NOVEL METHOD FOR PRODUCING 5, 5-DISUBSTITUTED-4, 5-DIHYDROISOXAZOLE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-02-18 US disclosed
EP-3725782-A1 NOVEL METHOD FOR PRODUCING 5,5-DISUBSTITUTED-4,5-DIHYDROISOXAZOLE Kumiai Chemical Industry Co., Ltd. (JP) 2020-10-21 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 (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-20210047280-A1 NOVEL METHOD FOR PRODUCING 5, 5-DISUBSTITUTED-4, 5-DIHYDROISOXAZOLE CYP3A5, CYP4X1, SQLE SRC 4808/4885TSHR 2088/4885KDM4E 2024/4885
US-10975041-B2 Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole CYP3A5, CYP4X1, SQLE SRC 4720/4885TSHR 2114/4885KDM4E 1721/4885

“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.