SCHEMBL3128334

SCHEMBL3128334

NC/C=C/c1cccc(NC(=O)C2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 3/20 0.54
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
LMNA P02545 2/20 0.52
USP2 O75604 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
F2R P25116 1/20 0.47
PTPN1 P18031 1/20 0.47
ACKR3 P25106 2/20 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
SCHEMBL3128343 1.00 ALDH1A1 (0.55) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL15576249 0.88 SMN1; SMN2 (0.61) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL18641060 0.84 ALDH1A1 (0.55) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL18641057 0.84 ALDH1A1 (0.55) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL18664595 0.83 ALDH1A1 (0.63) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL20518739 0.83 ALDH1A1 (0.63) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL20478988 0.82 HPGD (0.60) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL20478989 0.82 HPGD (0.60) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL18640467 0.81 ALDH1A1 (0.63) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3
SCHEMBL3122191 0.81 HPGD (0.49) ALDH1A1NPSR1SMN1; SMN2HPGDKCNK3

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 16 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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
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-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 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
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO 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 (3 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ALDH1A1 777/4885NPSR1 4253/4885SMN1; SMN2 534/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ALDH1A1 777/4885NPSR1 4253/4885SMN1; SMN2 534/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ALDH1A1 777/4885NPSR1 4253/4885SMN1; SMN2 534/4885

“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.