SCHEMBL7933113

SCHEMBL7933113

CCOC(=O)c1cc(C(C)C)c(N)c(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
NPC1 O15118 1/20 0.48
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR35 Q9HC97 1/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL11413487 0.84 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7933110 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL19475057 0.80 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL14154163 0.79 LMNA (0.56) CA12CA1CA2CA7CA9
SCHEMBL1101657 0.78 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL22863705 0.78 MMP8 (0.40) CA12CA1CA2CA9LMNA
SCHEMBL12128674 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1121160 0.77 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7932932 0.77 ALDH1A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7928469 0.77 ALDH1A1 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024247648-A1 TUMOR THERAPEUTIC AGENT, AND COMPLEX 学校法人兵庫医科大学 2024-12-05 WO disclosed
US-20240002398-A1 COMPLEX, AND USE THEREOF RIKEN (JP) 2024-01-04 US disclosed
EP-4233916-A1 COMPLEX, AND USE THEREOF RIKEN (JP) 2023-08-30 EP disclosed
WO-2022085523-A1 COMPLEX, AND USE THEREOF 国立研究開発法人理化学研究所 2022-04-28 WO disclosed
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 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-20240002398-A1 COMPLEX, AND USE THEREOF ACR, C9, APEX1 CA12 388/4885CA1 62/4885CA2 860/4885

“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.