SCHEMBL15946018

SCHEMBL15946018

CCCC(=O)c1cccc(NCC(CC)CC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.42
AKR1C3 P42330 1/20 0.42
HPGD P15428 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B3 P37058 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
F2R P25116 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL15946019 0.90 HTR2B (0.42) HTR2BAKR1C3HPGDL3MBTL1SMN1; SMN2
SCHEMBL3138150 0.90 AKR1C3 (0.41) HTR2BAKR1C3L3MBTL1ALDH1A1KMT2A
SCHEMBL2151026 0.85 ALDH1A1 (0.43) AKR1C3HPGDL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2150483 0.82 AKR1C3 (0.40) HTR2BAKR1C3HPGDALDH1A1MAPT
SCHEMBL3134357 0.80 CA1 (0.41) HPGDL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL8306836 0.79 HPGD (0.48) HTR2BAKR1C3HPGDL3MBTL1SMN1; SMN2
SCHEMBL15945985 0.78 HDAC11 (0.51) AKR1C3HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL18748244 0.78 HTR2B (0.47) HTR2BHPGDL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL15576275 0.77 HDAC8 (0.59) AKR1C3KMT2ACA1CA2RAB9A
SCHEMBL9058441 0.77 AKR1C3 (0.49) AKR1C3L3MBTL1SMN1; SMN2ALDH1A1MAPT

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 HTR2B 4091/4885AKR1C3 1023/4885HPGD 119/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 HTR2B 4091/4885AKR1C3 1023/4885HPGD 119/4885

“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.