SCHEMBL7733569

SCHEMBL7733569

C=C(NC(C)=O)c1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
PLK1 P53350 1/20 0.52
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
F10 P00742 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL28861868 0.84 ELANE (0.53) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL19454923 0.83 CA1 (0.53) MAPTCA1CA2NPC1RAB9A
SCHEMBL7915810 0.81 PLK1 (0.71) MAPTCA1CA2CES2CES1
SCHEMBL28468999 0.81 ACACB (0.47) MAPTCA1CA2TP53ALOX15
SCHEMBL28467015 0.81 KMT2A (0.56) MAPTPLK1PARP10NPC1RAB9A
SCHEMBL19435693 0.80 MAPT (0.45) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL28459416 0.80 NPC1 (0.61) CA1CA2CES2CES1PLK1
SCHEMBL31325039 0.80 CES2 (0.59) MAPTCES2CES1PARP1NPC1
SCHEMBL19724896 0.79 CA1 (0.47) MAPTCA1CA2NPC1RAB9A
SCHEMBL7733506 0.79 ALDH1A1 (0.48) MAPTCES2CES1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN claimed
CN-119552129-A Preparation method and application of fully substituted 5,5' -bisoxazole compound 广东工业大学 2025-03-04 CN disclosed
CN-115043752-A Beta, beta-dibromo enamide and preparation method thereof 天津中医药大学 2022-09-13 CN disclosed
CN-113480533-B Preparation method of 3, 4-pyridine diimides derivatives 赣南师范大学 2022-08-02 CN disclosed
CN-113480533-A Preparation method of 3, 4-pyridine diimides derivatives 赣南师范大学 2021-10-08 CN disclosed
CN-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN disclosed
CN-110156668-A A method of synthesis 4- Polyfluoroalkyl -2,6- diaryl substituted pyridine compound 福州大学 2019-08-23 CN disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 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 (1 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-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 MAPT 4231/4885CA1 425/4885CA2 614/4885

“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.