SCHEMBL27259330

SCHEMBL27259330

C=COC(C)=O.CCC(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.33
▸ NAALAD2 Q9Y3Q0 2/20 0.33
▸ GABRR1 P24046 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ AKR1A1 P14550 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
Ethane SCHEMBL27259007 0.98 FOLH1 (0.32) FOLH1NAALAD2GABRR1CYP1A2ACE2
SCHEMBL27932300 0.85 CHRM1 (0.42) GABRR1CYP1A2ACE2CHRM1AKR1A1
SCHEMBL27536324 0.82 CA2 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27948181 0.82 ACE2 (0.46) GABRR1CYP1A2ACE2CHRM1AKR1A1
SCHEMBL27932307 0.81 SLC1A3 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27276142 0.81 TSHR (0.35) TSHR
SCHEMBL27550458 0.81 GPR84 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28161640 0.81 CHRM1 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
Lactic Acid SCHEMBL547542 0.79 TP53 (0.50) TSHR
Cadaverine Tartrate SCHEMBL30203492 0.79 TSHR (0.46) TSHR

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-105713281-B Universal white master batch and preparation method thereof 上海宏盎实业发展有限公司 2017-12-12 — — CN claimed
CN-105713281-A Universal white master batch and preparation method thereof 上海宏盎实业发展有限公司 2016-06-29 — — CN claimed
CN-110199005-A The processing of sulfide dirt 沙特阿拉伯石油公司 2019-09-03 — — CN disclosed
CN-109072056-A Ion-containing polysaccharide-coated nanoparticle compositions 沙特阿拉伯石油公司 2018-12-21 — — CN disclosed
CN-108026438-A Stabilized nanoparticle compositions comprising ions 沙特阿拉伯石油公司 2018-05-11 — — CN disclosed
CN-105713281-B Universal white master batch and preparation method thereof 上海宏盎实业发展有限公司 2017-12-12 — — CN disclosed
CN-105733158-B Novel plastic filler parent granule 上海宏盎实业发展有限公司 2017-10-10 — — CN disclosed
US-20170239366-A1 ANTI-B7-H4 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2017-08-24 — — US disclosed
CN-106661440-A Composition including a curable resin and organophilically-modified clay for subterranean oil well applications 哈利伯顿能源服务公司 2017-05-10 — — CN disclosed
CN-106311150-A Preparation method of adsorbent for purification of trimethylolpropane trioleate 王金桢 2017-01-11 — — CN disclosed
CN-105713281-A Universal white master batch and preparation method thereof 上海宏盎实业发展有限公司 2016-06-29 — — CN disclosed
CN-103477492-A Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES 2013-12-25 — — CN disclosed
CN-1025740-C Fluorine-containing copolymer composition MITSUI PETROCHEMICAL IND (JP) 1994-08-24 — — CN disclosed
CN-1053249-A The fluorinated copolymer composition MITSUI PETROCHEMICAL IND (JP) 1991-07-24 — — CN 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-20170239366-A1 ANTI-B7-H4 ANTIBODIES AND IMMUNOCONJUGATES CD44, NECTIN4, H1-4 FOLH1 497/4885NAALAD2 2194/4885GABRR1 3722/4885

“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.

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