SCHEMBL21708210

SCHEMBL21708210

CCCCOCCCS(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.52
CA1 P00915 12/20 0.52
CA9 Q16790 9/20 0.45
TSHR P16473 4/20 0.44
CA12 O43570 4/20 0.43
CA7 P43166 4/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21708336 0.91 CA2 (0.52) CA2CA1CA9TSHRCA12
SCHEMBL21708223 0.91 CA2 (0.44) CA2CA1CA9TSHRCA12
SCHEMBL21708337 0.84 CA2 (0.39) CA2CA1CA9TSHRCA12
SCHEMBL18974594 0.80 CA2 (0.55) CA2CA1CA9TSHRCA7
SCHEMBL2826 0.80
SCHEMBL588172 0.80
SCHEMBL21997699 0.79 APP (0.37) CA2CA1CA9TSHRCA12
SCHEMBL30578 0.78
Lithium SCHEMBL30499352 0.78
SCHEMBL8089971 0.78

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
EP-3611175-B1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF YAMAMOTO CHEMICALS INC (JP) 2022-02-09 EP disclosed
US-11174274-B2 Naphthalocyanine compound, method for producing same, and use thereof YAMAMOTO CHEMICALS, INC. (JP) 2021-11-16 US disclosed
US-20210107924-A1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF YAMAMOTO CHEMICALS, INC. (JP) 2021-04-15 US disclosed
EP-3611175-A1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF Yamamoto Chemicals, Inc. (JP) 2020-02-19 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 (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-20210107924-A1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF MRPS9, INTS9, RPL19 CA2 1085/4885CA1 734/4885CA9 59/4885
US-11174274-B2 Naphthalocyanine compound, method for producing same, and use thereof MRPS9, INTS9, RPL19 CA2 1085/4885CA1 734/4885CA9 59/4885

“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.