SCHEMBL5434808

SCHEMBL5434808

CCCCOCC(C)(C)[O]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
CES2 O00748 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4324474 0.93 CES1 (0.48) TSHRCES1CES2ALDH1A1CA1
SCHEMBL7282022 0.91 CES1 (0.52) CES1CES2ALDH1A1CA1CA2
SCHEMBL9773492 0.84
SCHEMBL19845102 0.79 TSHR (0.46) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL4983569 0.79 TSHR (0.46) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL4492563 0.79 TSHR (0.46) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL7289789 0.76 CYP4F2 (0.44) TSHRCES1SMN1; SMN2CES2MEN1
SCHEMBL10780548 0.76 TSHR (0.39) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL278799 0.76 TSHR (0.48) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL13106440 0.75 TSHR (0.48) TSHRCYP3A4CES1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113260364-A LTA4H inhibitor for treating hidradenitis suppurativa 诺华股份有限公司 2021-08-13 CN disclosed
US-8354439-B2 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2007-10-11 US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 US disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0957915-B1 THIAZOLE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND OF CELL ADHESION OTSUKA PHARMA CO LTD (JP) 2005-02-02 EP disclosed
US-20040029919-A1 Therapeutic carbamates THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-12 US disclosed
US-20040014792-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO. LTD. 2004-01-22 US disclosed
US-6583163-B2 Using thiazole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 EP disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 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 (4 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-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL TSHR 724/4885CYP3A4 2943/4885CES1 2837/4885
US-20040029919-A1 Therapeutic carbamates CHRM3, CHRM5, CHRM2 TSHR 113/4885CYP3A4 846/4885CES1 499/4885
US-20040014792-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, SELL, IL1RN TSHR 882/4885CYP3A4 3120/4885CES1 2512/4885
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL TSHR 742/4885CYP3A4 2943/4885CES1 2892/4885

“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.