SCHEMBL10866902

SCHEMBL10866902

C[C]1CCCCCCCCCCC1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
GAA P10253 2/20 0.33
HRH2 P25021 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL21114252 1.00 KMT2A (0.54) KMT2ACA1CA2CA4GAA
SCHEMBL21114295 1.00 KMT2A (0.54) KMT2ACA1CA2CA4GAA
SCHEMBL21114291 1.00 KMT2A (0.54) KMT2ACA1CA2CA4GAA
SCHEMBL1532392 1.00 KMT2A (0.54) KMT2ACA1CA2CA4GAA
SCHEMBL258383 1.00
SCHEMBL4468 0.97
SCHEMBL5278 0.88
SCHEMBL7557757 0.76 KMT2A (0.52) KMT2ACA1CA2CA4GAA
SCHEMBL1051638 0.76 KMT2A (0.52) KMT2ACA1CA2CA4GAA
SCHEMBL1051636 0.76 KMT2A (0.52) KMT2ACA1CA2CA4GAA

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
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
EP-0177807-A2 Hexanoates, process for their preparation and perfumes and/or flavouring agents having a content of such compounds L. GIVAUDAN & CIE Société Anonyme (CH) 1986-04-16 EP disclosed
EP-0137419-A2 Perfume compositions containing benzyl ethers L. GIVAUDAN & CIE Société Anonyme (CH) 1985-04-17 EP disclosed
EP-0011877-A1 Carane derivatives, process for their preparation, their use as perfumes, and perfume compositions containing them L. Givaudan & Cie Société Anonyme (CH) 1980-06-11 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 (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 KMT2A 1078/4885CA1 1421/4885CA2 704/4885
US-10851039-B2 Polyhydric phenol compound and method of producing same RB1, FHIT, H1-4 KMT2A 1078/4885CA1 1421/4885CA2 704/4885
US-10793499-B2 RB1, H1-4, TPD52L2 KMT2A 1044/4885CA1 2157/4885CA2 796/4885

“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.