SCHEMBL9609532

SCHEMBL9609532

CC(=CC=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
HPGD P15428 3/20 0.46
PKM P14618 2/20 0.46
ATM Q13315 2/20 0.46
NLRP1 Q9C000 1/20 0.46
MEN1 O00255 1/20 0.46
NTSR1 P30989 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
GAA P10253 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL30450782 1.00 ALDH1A1 (0.46) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL11649733 1.00 ALDH1A1 (0.46) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL23458240 0.85 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL7911566 0.82 ESR1 (0.54) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL9510835 0.80 PTGS1 (0.47) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL14549176 0.80 ESR1 (0.33)
SCHEMBL9510836 0.80 PTGS1 (0.47) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL9609552 0.80 CA1 (0.46) ALDH1A1NPSR1LMNASMN1; SMN2MEN1
SCHEMBL24554809 0.80 CA1 (0.46) LMNASMN1; SMN2ATMKMT2ACES2
SCHEMBL3239893 0.80 CA1 (0.46) LMNASMN1; SMN2ATMKMT2ACES2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112004805-B Process for producing 5, 5-disubstituted-4, 5-dihydroisoxazoles 组合化学工业株式会社 2024-06-14 CN disclosed
CN-112154193-B Downhole methods using acid compositions containing corrosion inhibitors 液体能源集团有限公司 2024-02-06 CN disclosed
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-112321544-B Chiral quaternary carbon cyanide and preparation method thereof 深圳湾实验室坪山生物医药研发转化中心 2023-05-26 CN disclosed
EP-3476478-B1 METHOD FOR REMOVING A SULFUR-CONTAINING COMPOUND KURARAY CO (JP) 2023-04-26 EP disclosed
CN-109310982-B Composition for removing sulfur-containing compounds 株式会社可乐丽(JP) 2023-01-13 CN 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
WO-2022127712-A1 METHOD FOR STEREOSPECIFIC SYNTHESIS OF 2-ENAL AND 2-ENONE COMPOUNDS, AND DEUTERATED COMPOUNDS THEREOF 复旦大学 2022-06-23 WO 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-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 WO disclosed
US-4073813-A PLATINUM REDUCTION CATALYST, ALDEHYDES, HYDROGEN RHONE-POULENC INDUSTRIES (FR) 1978-02-14 US disclosed
US-4009170-A 1-Ethoxy-3,4-dihydroisoquindines STERLING DRUG INC. (US) 1977-02-22 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 (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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 ALDH1A1 223/4885HTT 3750/4885NPSR1 2526/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ALDH1A1 122/4885HTT 3531/4885NPSR1 1483/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ALDH1A1 61/4885HTT 3791/4885NPSR1 2156/4885
US-11753384-B2 Production method for 5,5-di-substituted-4,5-dihydroisoxazole CYP3A5, CYP3A4, DHPS ALDH1A1 78/4885HTT 1454/4885NPSR1 1775/4885

“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.