SCHEMBL301407

SCHEMBL301407

C=CCc1c(F)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.40
HPRT1 P00492 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
IMPDH2 P12268 1/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 2/20 0.34

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
SCHEMBL253635 0.79 HSD17B10 (0.41) HSD17B10HPRT1CYP1A2CYP2C9CYP2C19
SCHEMBL6641451 0.79 HSD17B10 (0.44) HSD17B10HPRT1CYP1A2CYP2C9CYP2C19
SCHEMBL2533977 0.78 HSD17B10 (0.40) HSD17B10HPRT1CYP1A2CYP2C9CYP2C19
SCHEMBL7198503 0.78 TSHR (0.48) HSD17B10HPRT1CYP1A2CYP2C9CYP2C19
SCHEMBL7924281 0.78 HSD17B10 (0.40) HSD17B10HPRT1CYP1A2CYP2C9CYP2C19
SCHEMBL8637918 0.78 HSD17B10 (0.40) HSD17B10HPRT1CYP1A2CYP2C9CYP2C19
SCHEMBL2162162 0.78 IMPDH2 (0.61) HSD17B10HPRT1CYP1A2CYP2C9CYP2C19
SCHEMBL31201820 0.78 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1325658 0.78 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30300202 0.76 HTR2A (0.54) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627213-B1 ANTIFRICTION BEARING PROVIDED WITH POLYMER ELECTRONICS SCHAEFFLER TECHNOLOGIES AG (DE) 2012-03-14 EP claimed
US-7827871-B2 Antifriction bearing provided with polymer electronics SCHAEFFLER KG (DE) 2010-11-09 US claimed
US-7742281-B2 Solid electrolytic capacitor SANYO ELECTRIC CO., LTD. (JP) 2010-06-22 US claimed
US-20070277612-A1 Antifriction Bearing Provided With Polymer Electronics Schaeffler Technologies AG & Co. KG (DE) 2007-12-06 US claimed
US-7827871-B2 Antifriction bearing provided with polymer electronics SCHAEFFLER KG (DE) 2010-11-09 US disclosed
US-7742281-B2 Solid electrolytic capacitor SANYO ELECTRIC CO., LTD. (JP) 2010-06-22 US disclosed
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
US-20080158783-A1 SOLID ELECTROLYTIC CAPACITOR SANYO ELECTRIC CO., LTD. (JP) 2008-07-03 US disclosed
US-20070277612-A1 Antifriction Bearing Provided With Polymer Electronics Schaeffler Technologies AG & Co. KG (DE) 2007-12-06 US disclosed
EP-1827427-A1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION Solvay Pharmaceuticals B.V. (NL) 2007-09-05 EP disclosed
EP-1824480-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION Solvay Pharmaceuticals B.V. (NL) 2007-08-29 EP disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
WO-2006061376-A1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL D0PAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
WO-2006061377-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-20060122247-A1 Aryloxyethylamine and phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 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-20060122247-A1 Aryloxyethylamine and phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2A, HTR2C, HTR1A HSD17B10 2973/4885HPRT1 2094/4885CYP1A2 149/4885
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A HSD17B10 2642/4885HPRT1 1881/4885CYP1A2 144/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A HSD17B10 2642/4885HPRT1 1881/4885CYP1A2 144/4885

“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.