SCHEMBL195667

SCHEMBL195667

CCCOCCCCCC=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
FAAH O00519 2/20 0.52
TRPV1 Q8NER1 2/20 0.52
ALDH1A1 P00352 1/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.39
HIF1A Q16665 1/20 0.39
CES2 O00748 1/20 0.38

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
SCHEMBL25231629 1.00 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL4911952 1.00 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL14966102 1.00 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL25336996 1.00 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL2413045 0.98 TSHR (0.54) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL8386491 0.91 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL15923909 0.91 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL678273 0.91 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL19040831 0.91 TSHR (0.65) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL10584770 0.91 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943532-B2 Iminosugars and methods of treating viral diseases EMERGENT VIROLOGY LLC (US) 2018-04-17 US disclosed
US-20170304333-A1 IMINOSUGARS AND METHODS OF TREATING VIRAL DISEASES EMERGENT VIROLOGY LLC (US) 2017-10-26 US disclosed
US-9579334-B2 Iminosugars and methods of treating viral diseases EMERGENT VIROLOGY LLC (US) 2017-02-28 US disclosed
US-20160243096-A1 METHODS OF TREATING ORTHOMYXOVIRAL INFECTIONS EMERGENT VIROLOGY LLC (US) 2016-08-25 US disclosed
US-20160243097-A1 METHODS OF TREATING POXVIRAL INFECTIONS EMERGENT VIROLOGY LLC (US) 2016-08-25 US disclosed
EP-2398321-B1 IMINOSUGARS AND METHODS OF TREATING VIRAL DISEASES UNITED THERAPEUTICS CORP (US) 2015-11-25 EP disclosed
EP-2400843-B1 IMINOSUGARS AND METHODS OF TREATING ARENAVIRAL INFECTIONS UNITED THERAPEUTICS CORP (US) 2015-11-11 EP disclosed
CN-102625801-B Methods of treating poxvirus infections UNITED THERAPEUTICS CORP. (US) 2015-09-09 CN disclosed
US-20150224128-A1 IMINOSUGARS AND METHODS OF TREATING VIRAL DISEASES UNITED THERAPEUTICS CORPORATION (US) 2015-08-13 US disclosed
US-9044470-B2 Iminosugars and methods of treating viral diseases UNITED THERAPEUTICS CORPORATION (US) 2015-06-02 US disclosed
WO-2010096764-A1 IMINOSUGARS AND METHODS OF TREATING VIRAL DISEASES UNITED THERAPEUTICS CORPORATION (US) 2010-08-26 WO disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (5 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-20160243096-A1 METHODS OF TREATING ORTHOMYXOVIRAL INFECTIONS EIF2AK2, ENGASE, MANBA TSHR 4202/4885FAAH 2070/4885TRPV1 4026/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B TSHR 180/4885FAAH 111/4885TRPV1 80/4885
US-20160243097-A1 METHODS OF TREATING POXVIRAL INFECTIONS DPM1, EIF2AK2, DERA TSHR 4639/4885FAAH 2753/4885TRPV1 3659/4885
US-20150224128-A1 IMINOSUGARS AND METHODS OF TREATING VIRAL DISEASES GBA1, UGCG, HAVCR2 TSHR 3979/4885FAAH 720/4885TRPV1 4350/4885
US-20170304333-A1 IMINOSUGARS AND METHODS OF TREATING VIRAL DISEASES GBA1, UGCG, HAVCR2 TSHR 3979/4885FAAH 720/4885TRPV1 4350/4885

“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.