SCHEMBL4055668

SCHEMBL4055668

CC(C)(C)OC(=O)/C=C/c1ccc(/C=C/C(=O)OC(C)(C)C)cc1

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
TYR P14679 1/20 0.53
ESR1 P03372 1/20 0.51
CYP1A2 P05177 1/20 0.50
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
PTPN1 P18031 1/20 0.46
F3 P13726 1/20 0.46
NR1H4 Q96RI1 3/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL13845314 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL4055672 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL4065769 0.94 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4065768 0.94 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4283078 0.93 THRB (0.56) CA12CA1CA2CA7CA9
SCHEMBL799522 0.93 MAPT (0.53) CA12CA1CA2CA7CA9
SCHEMBL8091741 0.93 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL4283080 0.93 THRB (0.56) CA12CA1CA2CA7CA9
SCHEMBL1322439 0.93 KMT2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL1322440 0.93 KMT2A (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2017-12-28 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 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 (2 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM CA12 4194/4885CA1 1984/4885CA2 3704/4885
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT VIM, SMCHD1, SMC4 CA12 2633/4885CA1 4216/4885CA2 4738/4885

“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.