SCHEMBL472103

SCHEMBL472103

CCOC(=O)CC1=CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
GSTP1 P09211 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8693254 0.98 ALDH1A1 (0.46) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL28820040 0.98 ALDH1A1 (0.46) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL19259376 0.95 ALDH1A1 (0.43) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL5181522 0.85 MGAM (0.43) ALDH1A1SMN1; SMN2GAAKMT2AHSD17B10
SCHEMBL3988008 0.83 ALDH1A1 (0.51) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL472083 0.82 ALDH1A1 (0.49) ALDH1A1ALOX15TSHRSMN1; SMN2HPGD
SCHEMBL27322930 0.81 ALDH1A1 (0.41) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL16378090 0.81 ALDH1A1 (0.49) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL29159725 0.80 KMT2A (0.36) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL472109 0.79 KMT2A (0.41) ALDH1A1ALOX15TSHRSMN1; 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 CN disclosed
US-8664414-B2 Process for producing epoxy compound SHOWA DENKO K.K. (JP) 2014-03-04 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8466303-B2 Process for production of epoxy compound SHOWA DENKO K.K. (JP) 2013-06-18 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND SHOWA DENKO K.K. (JP) 2012-02-02 US disclosed
EP-2088859-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS Bayer CropScience AG (DE) 2009-08-19 EP disclosed
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
WO-2008106058-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
WO-2008064780-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2008-06-05 WO disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
US-5091567-A Reacting cyclohexanone with phosphonoacetic acid ester, condensing with nitromethane, reducing, hydrolyzing GODECKE AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-3994922-A Benzopyrans and intermediates for the preparation of pyrrolo benzopyrans ARTHUR D. LITTLE, INC. (US) 1976-11-30 US disclosed
US-3937699-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-02-10 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 (2 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-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND NOX4, NOX5, NOXO1 ALDH1A1 1104/4885TP53 4650/4885ALOX15 62/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ALDH1A1 1374/4885TP53 396/4885ALOX15 3227/4885

“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.