SCHEMBL235643

SCHEMBL235643

C#CCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 3/20 0.39
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
BRCA1 P38398 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
METAP1 P53582 1/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL236468 0.97
SCHEMBL376856 0.86
SCHEMBL387459 0.85 CYP1A2 (0.50) CYP1A2SIGMAR1EPHX1
SCHEMBL9560139 0.81 SIGMAR1 (0.54) CYP1A2SIGMAR1MAPTHSD17B10EPHX1
SCHEMBL31710857 0.80
SCHEMBL7139125 0.78 SIGMAR1 (0.37) CYP1A2SIGMAR1HPGDMAPTCHRM2
SCHEMBL23245592 0.75 DAO (0.33)
SCHEMBL26686102 0.75 HRH3 (0.35)
SCHEMBL1044132 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDKDM4EMEN1
SCHEMBL9203294 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1HPGDKDM4EMEN1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 US disclosed
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-02-12 US disclosed
US-8895782-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-11-25 US disclosed
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 US disclosed
US-8766007-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC (US) 2014-07-01 US disclosed
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis JOHNSON THEODORE O (US) 2003-12-04 US disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-6514997-B2 Block the activity of picornaviral 3C protease AGOURON PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1274682-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
EP-1252145-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2002-01-17 US disclosed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US disclosed
WO-2001079167-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
US-4983627-A Treating atherosclerosis, thrombosis and vasospasms; anticholesterol,-secretory,-ulcer and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1991-01-08 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 (8 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 CYP1A2 4026/4885SIGMAR1 3530/4885HPGD 1772/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CYP1A2 3683/4885SIGMAR1 3659/4885HPGD 213/4885
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 CYP1A2 2197/4885SIGMAR1 3117/4885HPGD 2789/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CYP1A2 3683/4885SIGMAR1 3659/4885HPGD 213/4885
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis RNASEL, SARNP, RNASEH1 CYP1A2 2726/4885SIGMAR1 3463/4885HPGD 3379/4885
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SERPINB1 CYP1A2 2456/4885SIGMAR1 3060/4885HPGD 2900/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 CYP1A2 4252/4885SIGMAR1 2984/4885HPGD 2118/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CYP1A2 3683/4885SIGMAR1 3659/4885HPGD 213/4885

“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.