SCHEMBL1636079

SCHEMBL1636079

C#Cc1cccc(C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACACB O00763 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HDAC3 O15379 1/20 0.42
EGFR P00533 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL15907176 0.86 KMT2A (0.61) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3839084 0.83 TDP1 (0.52) ALDH1A1MEN1KMT2ATDP1RAB9A
SCHEMBL16954029 0.83 CA12 (0.41) LMNAMEN1KMT2ATDP1RAB9A
SCHEMBL8615592 0.83 ACACB (0.57) LMNAALDH1A1MEN1KMT2AACACB
SCHEMBL15907199 0.82 HDAC3 (0.60) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL5389398 0.82 MEN1 (0.50) LMNAALDH1A1MEN1KMT2AACACB
Acetophenone SCHEMBL27862447 0.82 SMN1; SMN2 (0.52) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL256865 0.82 CA12 (0.52) KMT2AHPGDCA12CA1CA2
SCHEMBL29411053 0.82 CA12 (0.52) KMT2AHPGDCA12CA1CA2
SCHEMBL1568517 0.80 PARP1 (0.53) MEN1KMT2ATDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118240199-B Binuclear copper complex based on alkyne palladium ligand and preparation method thereof 安徽大学 2024-10-11 CN disclosed
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
CN-118240199-A Binuclear copper complex based on alkyne palladium ligand and preparation method thereof 安徽大学 2024-06-25 CN disclosed
WO-2023051628-A1 SOS1 INHIBITORS HAVING PYRIDO SIX-MEMBERED RING STRUCTURE 上海海和药物研究开发股份有限公司 2023-04-06 WO disclosed
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. 2022-12-08 US disclosed
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. 2022-12-08 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed
EP-0975573-B1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-09-18 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
US-6235923-B1 RETINOIDS AND CELL DIFFERENTIATION ALLERGAN SALES, INC. 2001-05-22 US disclosed
US-6225494-B1 TREATING SKIN DISORDERS, REDUCED SIDE EFFECTS ALLERGAN SALES, INC. 2001-05-01 US disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed
US-6037488-A COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID ALLERGAN SALES, INC. (US) 2000-03-14 US disclosed
EP-0975573-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2000-02-02 EP disclosed
WO-1998047854-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1998-10-29 WO disclosed
US-5202349-A Lipoxygenase inhibitors, antiasthatics GRUENENTHAL GMBH (DE) 1993-04-13 US disclosed
US-4120909-A DEHYDRATION OF METHYL PHENYL KETONES, CATALYST HERCULES INCORPORATED (US) 1978-10-17 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 (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-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION CBLB, CBL, CBLC LMNA 2705/4885ALDH1A1 4274/4885MEN1 4354/4885

“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.