SCHEMBL812015

SCHEMBL812015

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](CC(=O)O)C[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 11/20 0.81
▸ SRD5A1 P18405 10/20 0.81
▸ CDC25A P30304 5/20 0.57
▸ FNTA P49354 4/20 0.55
▸ FNTB P49356 4/20 0.55
▸ CDC45 O75419 1/20 0.52
▸ PTPRC P08575 1/20 0.52

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
SCHEMBL916930 1.00 SRD5A2 (0.81) SRD5A2SRD5A1CDC25AFNTAFNTB
SCHEMBL916929 1.00 SRD5A2 (0.81) SRD5A2SRD5A1CDC25AFNTAFNTB
SCHEMBL1587376 0.91 SRD5A2 (0.84) SRD5A2SRD5A1FNTAFNTB
SCHEMBL8931523 0.91 SRD5A2 (0.84) SRD5A2SRD5A1FNTAFNTB
SCHEMBL913647 0.91 SRD5A2 (0.84) SRD5A2SRD5A1FNTAFNTB
SCHEMBL913644 0.91 SRD5A2 (0.84) SRD5A2SRD5A1FNTAFNTB
SCHEMBL918268 0.90 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL918267 0.90 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL917095 0.90 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL8931520 0.90 SRD5A1 (0.86) SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968751-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-06-28 — — US claimed
EP-2189466-A2 METHOD OF FLUORINATION BY MICROWAVES Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 — — EP claimed
US-20080319228-A1 Method of fluorination HARA SHOJI 2008-12-25 — — US claimed
US-7968751-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-06-28 — — US disclosed
US-7892518-B2 fluorinating a specific position of a saccharide substrate selectively without affecting a protective group at a temperature within a wide range safely and easily with N, N-diethyl-alpha, alpha-difluoro(3-methyl)benzylamine a fluorinating agent under irradiation with microwave or electromagnetic wave MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-02-22 — — US disclosed
EP-2189467-A2 Method of fluorination by microwaves Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 — — EP disclosed
EP-2189466-A2 METHOD OF FLUORINATION BY MICROWAVES Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 — — EP disclosed
US-20080319228-A1 Method of fluorination HARA SHOJI 2008-12-25 — — US disclosed
US-20080154064-A1 Method of fluorination HARA SHOJI 2008-06-26 — — US disclosed
US-7351863-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-01 — — US disclosed
US-20060014972-A1 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-01-19 — — US disclosed
EP-1568703-A1 METHOD OF FLUORINATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-31 — — 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 (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-20080154064-A1 Method of fluorination FUCA2, FABP2, FGB SRD5A2 2398/4885SRD5A1 2681/4885CDC25A 2989/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB SRD5A2 2398/4885SRD5A1 2681/4885CDC25A 2989/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB SRD5A2 2398/4885SRD5A1 2681/4885CDC25A 2989/4885

“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.

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