SCHEMBL910705

SCHEMBL910705

[CH2]c1ccc(OCC=C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA9 Q16790 5/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44

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
1,4-Diallyloxybenzene SCHEMBL302448 0.90 CA12 (0.63) CA12CA1CA9CA2CA7
SCHEMBL9065504 0.83 CA12 (0.57) CA12CA1CA9CA2CA7
SCHEMBL472165 0.83 CA12 (0.57) CA12CA1CA9CA2CA7
SCHEMBL3487338 0.83 CA12 (0.57) CA12CA1CA9CA2CA7
SCHEMBL7929785 0.82 CA12 (0.52) CA12CA1CA9CA2CA7
SCHEMBL2443600 0.79 CA12 (0.53) CA12CA1CA9CA2CA7
SCHEMBL7234631 0.79 CA12 (0.53) CA12CA1CA9CA2CA7
SCHEMBL11367547 0.79 CA12 (0.53) CA12CA1CA9CA2CA7
SCHEMBL22185804 0.79 CA12 (0.53) CA12CA1CA9CA2CA7
SCHEMBL2518928 0.79 CA12 (0.53) CA12CA1CA9CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700376-A N-benzyl benzamide compound, and pharmaceutical composition and application thereof 中国药科大学 2024-03-15 CN claimed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US claimed
WO-2021054474-A1 REPEATING DISACCHARIDE FOR OLIGOSACCHARIDE SYNTHESIS AND METHOD FOR PRODUCING OLIGOMER THEREOF 国立大学法人鳥取大学 2021-03-25 WO claimed
EP-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP claimed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO claimed
US-6143932-A FOR EFFECTING ANALGESIA, A DECREASE IN THE POSTPRANDIAL RISE IN THE BLOOD GLUCOSE LEVELS OF A MAMMAL AFTER INGESTION OF A CARBOHYDRATE LOAD BY SAID MAMMAL, AND TREATING MICROBIAL INFECTIONS TREGA BIOSCIENCES, INC. (US) 2000-11-07 US claimed
US-6121489-A Selectively N-alkylated peptidomimetic combinatorial libraries and compounds therein TREGA BIOSCIENCES, INC. (US) 2000-09-19 US claimed
EP-0890101-A4 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INST (US) 1999-12-08 EP claimed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP claimed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO claimed
WO-2024101386-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
CN-117700376-A N-benzyl benzamide compound, and pharmaceutical composition and application thereof 中国药科大学 2024-03-15 CN disclosed
CN-115397891-B Polysiloxanes with radiation-crosslinkable and moisture-crosslinkable groups 瓦克化学股份公司 2024-02-02 CN disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
EP-0051819-B1 TETRA-SUBSTITUTED BENZENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-02-13 EP disclosed
EP-0073566-A1 Methods and compositions for combating soil pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-09 EP disclosed
EP-0051819-A2 Tetra-substituted benzene derivatives, their preparation and pharmaceutical preparations containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-05-19 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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS CA12 3001/4885CA1 3294/4885CA9 2489/4885
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 CA12 233/4885CA1 872/4885CA9 124/4885

“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.