SCHEMBL15946015

SCHEMBL15946015

CCCC(=O)c1cccc(NC(=O)C(CCC)CCC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
LMNA P02545 2/20 0.52
HDAC1 Q13547 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL3124887 0.92 CA1 (0.60) CA1CA2LMNAHDAC1KMT2A
SCHEMBL2150866 0.87 CA1 (0.52) CA1CA2LMNAHDAC1KMT2A
SCHEMBL3128409 0.82 CA1 (0.47) CA1CA2LMNAHDAC1KMT2A
SCHEMBL6689726 0.81 HDAC3 (0.59) LMNAHDAC1KMT2ATSHRHSD17B10
SCHEMBL22669371 0.80 HPGD (0.47) LMNAHDAC1KMT2ATSHRHSD17B10
SCHEMBL15946025 0.78 ALDH1A1 (0.43) CA1CA2LMNAHDAC1TSHR
SCHEMBL3132889 0.78 CA1 (0.63) CA1CA2LMNAHDAC1KMT2A
SCHEMBL15946019 0.78 HTR2B (0.42) CA1CA2LMNAKMT2ATSHR
SCHEMBL8306836 0.77 HPGD (0.48) LMNAHDAC1KMT2AALDH1A1HPGD
SCHEMBL15945988 0.77 KDM4E (0.60) KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885LMNA 871/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885LMNA 871/4885

“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.