SCHEMBL9510835

SCHEMBL9510835

C/C(=C/C=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP1 Q9C000 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL28189864 1.00 PTGS1 (0.47) PTGS1CA1CA2CES2CES1
SCHEMBL9510836 1.00 PTGS1 (0.47) PTGS1CA1CA2CES2CES1
SCHEMBL30450782 0.80 ALDH1A1 (0.46) CES2CES1HPGDMAPTMEN1
SCHEMBL11649733 0.80 ALDH1A1 (0.46) CES2CES1HPGDMAPTMEN1
SCHEMBL7911566 0.80 ESR1 (0.54) PTGS1CA1CA2TSHRALOX15
SCHEMBL9609532 0.80 ALDH1A1 (0.46) CES2CES1HPGDMAPTMEN1
SCHEMBL28535936 0.79 TYR (0.47) HPGDMAPTMEN1HTTRAB9A
SCHEMBL11263134 0.79 TYR (0.47) HPGDMAPTMEN1HTTRAB9A
SCHEMBL24554809 0.78 CA1 (0.46) PTGS1CA1CA2CES2CES1
SCHEMBL9609552 0.78 CA1 (0.46) CA1CA2CES2CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753384-B2 Production method for 5,5-di-substituted-4,5-dihydroisoxazole KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2023-09-12 US disclosed
EP-3789382-B1 PRODUCTION METHOD FOR 5,5-DI-SUBSTITUTED-4,5-DIHYDROISOXAZOLE KUMIAI CHEMICAL INDUSTRY CO (JP) 2023-07-05 EP disclosed
CN-111491926-B Novel method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole 组合化学工业株式会社 2022-07-15 CN disclosed
EP-3725782-B1 NOVEL METHOD FOR PRODUCING 5,5-DISUBSTITUTED-4,5-DIHYDROISOXAZOLE KUMIAI CHEMICAL INDUSTRY CO (JP) 2022-06-22 EP disclosed
US-20210238150-A1 PRODUCTION METHOD FOR 5,5-DI-SUBSTITUTED-4,5-DIHYDROISOXAZOLE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-08-05 US disclosed
US-10975041-B2 Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-04-13 US disclosed
EP-3789382-A1 PRODUCTION METHOD FOR 5,5-DI-SUBSTITUTED-4,5-DIHYDROISOXAZOLE Kumiai Chemical Industry Co., Ltd. (JP) 2021-03-10 EP 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
CN-112004805-A Process for producing 5, 5-disubstituted-4, 5-dihydroisoxazoles 组合化学工业株式会社 2020-11-27 CN 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
CN-111491926-A Novel method for producing 5, 5-disubstituted-4, 5-dihydroisoxazoles 组合化学工业株式会社 2020-08-04 CN disclosed
EP-0569409-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1993-11-18 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 (4 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 PTGS1 1033/4885CA1 391/4885CA2 344/4885
US-20210238150-A1 PRODUCTION METHOD FOR 5,5-DI-SUBSTITUTED-4,5-DIHYDROISOXAZOLE CYP3A5, CYP3A4, DHPS PTGS1 758/4885CA1 698/4885CA2 631/4885
US-11753384-B2 Production method for 5,5-di-substituted-4,5-dihydroisoxazole CYP3A5, CYP3A4, DHPS PTGS1 758/4885CA1 698/4885CA2 631/4885
US-10975041-B2 Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole CYP3A5, CYP4X1, SQLE PTGS1 952/4885CA1 375/4885CA2 296/4885

“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.