SCHEMBL499995

SCHEMBL499995

CCCCC[CH]c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.40
POLB P06746 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40
BLM P54132 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 2/20 0.38
USP2 O75604 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3384654 0.98 ALDH1A1 (0.49) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL11842565 0.98 ALDH1A1 (0.49) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL921218 0.94 ALDH1A1 (0.48) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL270347 0.86
SCHEMBL23870571 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL774379 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL19536211 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL8165550 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2606180 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL774780 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373661-B1 NEW STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER SA (ES) 2013-03-20 EP disclosed
US-8106224-B2 Stereospecific method for the preparation of dioxa-bicyclooctane nitrate compounds LACER, S.A. (ES) 2012-01-31 US disclosed
US-20110251409-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2011-10-13 US disclosed
EP-2373661-A1 NEW STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2011-10-12 EP disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
EP-2149577-B1 New stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER SA (ES) 2011-04-27 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
WO-2010070079-A1 NEW STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2010-06-24 WO disclosed
US-20100160652-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2010-06-24 US disclosed
EP-2199294-A1 New stereospecific method for the preparation of dioxa bicyclooctane nitrate compounds LACER, S.A. (ES) 2010-06-23 EP disclosed
WO-2010055138-A1 NEW STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE COMPOUNDS LACER, S.A. (ES) 2010-05-20 WO disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
EP-2149577-A1 New stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER, S.A. (ES) 2010-02-03 EP disclosed
US-7635782-B1 Stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER, S.A. (ES) 2009-12-22 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
US-4038435-A FLAVORING AGENT FIRMENICH & CIE (CH) 1977-07-26 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 (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-20110251409-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS TST, NOS3, NOS1 ALDH1A1 799/4885MAPT 4707/4885POLB 1688/4885
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX ALDH1A1 3801/4885MAPT 388/4885POLB 3555/4885
US-20100160652-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS TST, NOS3, NOS1 ALDH1A1 771/4885MAPT 4723/4885POLB 1614/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ALDH1A1 2743/4885MAPT 695/4885POLB 4159/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885MAPT 1422/4885POLB 2580/4885

“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.