SCHEMBL3402007

SCHEMBL3402007

O=C(O)CCC1(CC(=O)O)CCCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 2/20 0.57
USP2 O75604 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
BLM P54132 1/20 0.57
CACNA2D1 P54289 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP2C19 P33261 1/20 0.45
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.36

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
SCHEMBL13563890 0.95 ALDH1A1 (0.52) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL15538586 0.88 LMNA (0.46) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL337085 0.83 ALDH1A1 (0.70) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL10488665 0.82 LMNA (0.53) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL4075327 0.82 ALDH1A1 (0.48) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL2871721 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL10602483 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL3421776 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL98282 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL21858440 0.80 TSHR (0.41) ALDH1A1CYP1A2USP2LMNATSHR

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
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
EP-2684861-A2 Spiro compounds and pharmaceutical use thereof Japan Tobacco Inc. (JP) 2014-01-15 EP disclosed
CN-101835737-B Spiro-ring compound and use thereof for medical purposes JAPAN TOBACCO INC 2013-12-25 CN disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
EP-2508503-A1 Spiro compounds and pharmaceutical use thereof Japan Tobacco, Inc. (JP) 2012-10-10 EP disclosed
EP-2202216-B1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2012-06-27 EP disclosed
CN-101835737-A Spiro-ring compound and use thereof for medical purposes JAPAN TOBACCO INC 2010-09-15 CN disclosed
EP-2202216-A1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2010-06-30 EP disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 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 (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-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 ALDH1A1 268/4885CYP1A2 243/4885USP2 4845/4885
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 ALDH1A1 268/4885CYP1A2 243/4885USP2 4845/4885
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 ALDH1A1 268/4885CYP1A2 243/4885USP2 4845/4885

“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.