SCHEMBL3130734

SCHEMBL3130734

NCC#Cc1cccc(NCC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
THPO P40225 1/20 0.40
KMT2A Q03164 3/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
EPHX1 P07099 2/20 0.37
EPHX2 P34913 1/20 0.37
PTPN1 P18031 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
AOC1 P19801 1/20 0.35
AOC3 Q16853 1/20 0.35
APP P05067 1/20 0.35
ITK Q08881 1/20 0.35
CYP2E1 P05181 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL25823674 0.90 TSHR (0.40) TSHRKMT2AHAO1EPHX1EPHX2
SCHEMBL15576247 0.86 TSHR (0.41) TSHRKMT2AHAO1EPHX1EPHX2
SCHEMBL21799837 0.76 APP (0.44) KMT2AEPHX1EPHX2PTPN1RXFP1
SCHEMBL29922690 0.76 APP (0.44) KMT2AEPHX1EPHX2PTPN1RXFP1
SCHEMBL1722469 0.76 ALDH1A1 (0.56) KMT2AMEN1
SCHEMBL13379511 0.76 DDB1 (0.43) EPHX1EPHX2PTPN1RXFP1AOC1
SCHEMBL2151158 0.75 BRD4 (0.42) TSHRCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3127970 0.75 ALDH1A1 (0.55) TSHRPTPN1RXFP1
SCHEMBL12204104 0.75 MEN1 (0.44) CYP3A4KMT2AEPHX1EPHX2PTPN1
SCHEMBL3128015 0.74 ALDH1A1 (0.43) KMT2AEPHX1EPHX2PTPN1RXFP1

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 15 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

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 TSHR 3582/4885CYP3A4 4413/4885CYP2C9 4749/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 TSHR 3582/4885CYP3A4 4413/4885CYP2C9 4749/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 TSHR 3582/4885CYP3A4 4413/4885CYP2C9 4749/4885

“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.