SCHEMBL583897

SCHEMBL583897

CCCN(CCC)C(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 3/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL9456154 0.90 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL9456256 0.87 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL15821787 0.85 CA12 (0.39) CA12CA9CA2TSHRMAPK1
SCHEMBL9456515 0.84 CA12 (0.54) CA12CA9CA2TSHRMAPK1
SCHEMBL17226465 0.80 CA12 (0.48) CA12CA9CA2TSHRALDH1A1
SCHEMBL17226472 0.80 CA12 (0.48) CA12CA9CA2TSHRALDH1A1
SCHEMBL10445563 0.78 CA12 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL41505 0.77 CA12 (0.55) CA12CA9CA2TSHRMAPK1
SCHEMBL52110 0.77 LMNA (0.43) CA12CA9CA2ALDH1A1HPGD
SCHEMBL9456333 0.75 CA12 (0.57) CA12CA9CA2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168957-B1 Alkyl-substituted tetrahydropyranes as aromatic materials SYMRISE AG (DE) 2012-02-15 EP claimed
US-5232947-A Administering to ameliorate damage from anoxia MEIJI SEIKA KAISHA, LTD. (JP) 1993-08-03 US claimed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
EP-0350260-B1 New oxamic acid compounds and pharmaceutical composition for use in improvement of damaged cerebral functions of brain MEIJI SEIKA KAISHA (JP) 1993-10-20 EP disclosed
US-5232947-A Administering to ameliorate damage from anoxia MEIJI SEIKA KAISHA, LTD. (JP) 1993-08-03 US disclosed
EP-0350260-A2 New oxamic acid compounds and pharmaceutical composition for use in improvement of damaged cerebral functions of brain MEIJI SEIKA KAISHA LTD. (JP) 1990-01-10 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 (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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 CA12 4344/4885CA9 3878/4885CA2 4355/4885

“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.