SCHEMBL1036985

SCHEMBL1036985

COC(=O)COCCCCBr

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CES2 O00748 2/20 0.39
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.32
EPHX2 P34913 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7939372 0.98 TSHR (0.43) TSHRCES2HSD17B10MGAMGAA
SCHEMBL25802171 0.98 TSHR (0.43) TSHRCES2HSD17B10MGAMGAA
SCHEMBL26699205 0.94 TSHR (0.46) TSHRCES2HSD17B10MGAMGAA
SCHEMBL831512 0.85
SCHEMBL18906900 0.81 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL1038709 0.81 GAA (0.44) TSHRCES2HSD17B10MGAMGAA
SCHEMBL7051236 0.81 CES2 (0.61) TSHRCES2FAAHEPHX2CYP2C19
SCHEMBL18906770 0.81 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL5219102 0.80 ALDH1A1 (0.48) TSHRCES2MGAMGAASI
SCHEMBL6463788 0.79 TSHR (0.50) TSHRCES2HSD17B10MGAMGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638936-B1 3-OXA-8-AZAPROSTAGLANDIN ANALOGS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2011-01-26 EP disclosed
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
CN-1301973-C Heterocyclic derivatives and medicines NIPPON SHINYAKU CO LTD (JP) 2007-02-28 CN disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
EP-1638936-A1 3-OXA-8-AZAPROSTAGLANDIN ANALOGS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2006-03-29 EP disclosed
WO-2004108670-A1 3-OXA-8-AZAPROSTAGLANDIN ANALOGS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2004-12-16 WO disclosed
CN-1516690-A Heterocyclic derivatives and medicines �ձ���ҩ��ʽ���� 2004-07-28 CN disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
US-6734206-B1 POTENT OCULAR HYPOTENSIVES THAT ARE PARTICULARLY SUITED FOR THE MANAGEMENT OF GLAUCOMA ALLERGAN, INC. 2004-05-11 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP 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 (1 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-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 TSHR 427/4885CES2 1123/4885HSD17B10 1916/4885

“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.