SCHEMBL21114239

SCHEMBL21114239

O=CCC1CCCCCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.48
ADH1C P00326 4/20 0.48
ADH1B P00325 2/20 0.48
ADH4 P08319 2/20 0.48
ADH7 P40394 1/20 0.48
EPHX1 P07099 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM5 P08912 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL4688404 1.00 ADH1A (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL21114319 1.00 ADH1A (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL5935694 1.00 ADH1A (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL16520916 1.00 ADH1A (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL5796235 1.00 ADH1A (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL26244 1.00
SCHEMBL21114270 1.00 ADH1A (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL28560855 0.97 ADH1A (0.46) ADH1AADH1CADH1BADH4ADH7
SCHEMBL28548671 0.97 ADH1A (0.46) ADH1AADH1CADH1BADH4ADH7
SCHEMBL28564230 0.97 ADH1A (0.46) ADH1AADH1CADH1BADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790284-B Polyphenol compound and process for producing the same 三菱化学株式会社 2021-09-21 CN disclosed
US-10851039-B2 Polyhydric phenol compound and method of producing same MITSUBISHI CHEMICAL CORPORATION (JP) 2020-12-01 US disclosed
US-10793499-B2 2020-10-06 US disclosed
EP-3514193-A1 POLYVALENT PHENOL COMPOUND AND METHOD OF PRODUCING SAME Mitsubishi Chemical Corporation (JP) 2019-07-24 EP disclosed
US-20190210947-A1 POLYHYDRIC PHENOL COMPOUND AND METHOD OF PRODUCING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-11 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 (3 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-20190210947-A1 POLYHYDRIC PHENOL COMPOUND AND METHOD OF PRODUCING SAME RB1, FHIT, H1-4 ADH1A 646/4885ADH1C 467/4885ADH1B 123/4885
US-10851039-B2 Polyhydric phenol compound and method of producing same RB1, FHIT, H1-4 ADH1A 646/4885ADH1C 467/4885ADH1B 123/4885
US-10793499-B2 RB1, H1-4, TPD52L2 ADH1A 817/4885ADH1C 772/4885ADH1B 138/4885

“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.