SCHEMBL4086439

SCHEMBL4086439

COc1ccc(CC(C)=O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HSD17B10 Q99714 1/20 0.51
GAA P10253 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3616256 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HSD17B10GAAMEN1
SCHEMBL921998 0.86 GAA (0.68) ALDH1A1SMN1; SMN2HSD17B10GAAMEN1
SCHEMBL18758710 0.85 CA2 (0.41) ALDH1A1SMN1; SMN2HSD17B10GAALMNA
SCHEMBL7896877 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HSD17B10GAAMEN1
SCHEMBL27590527 0.85 HSD17B10 (0.57) ALDH1A1SMN1; SMN2HSD17B10GAAMEN1
SCHEMBL29354607 0.84 LMNA (0.61) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL187562 0.84 LMNA (0.61) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL28561801 0.82 LMNA (0.59) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL4082027 0.81 GAA (0.51) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL30388881 0.81 GAA (0.75) ALDH1A1GAAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117623893-A Preparation method of 5-hydroxy-1-indenone 阜新清稷升科技有限公司 2024-03-01 CN disclosed
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed
CN-103980184-B Piperidine compounds, medical composition and its use containing this compound 爱思开生物制药株式会社 2016-08-24 CN disclosed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO disclosed
US-5010091-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
US-4863939-A Heteroarylethylamine as production promoters in livestock BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0101223-B1 PROCESS FOR PRODUCING PHENYLACETONES UBE INDUSTRIES, LTD. (JP) 1987-04-01 EP disclosed
US-4638094-A OXIDATION OF PROPYLENEBENZENES UBE INDUSTRIES, LTD. (JP) 1987-01-20 US disclosed
EP-0101223-A2 Process for producing phenylacetones UBE INDUSTRIES, LTD. (JP) 1984-02-22 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT ALDH1A1 165/4885SMN1; SMN2 2892/4885HSD17B10 2360/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 ALDH1A1 35/4885SMN1; SMN2 1477/4885HSD17B10 1338/4885

“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.