SCHEMBL515422

SCHEMBL515422

Cc1cc(O)cc(C)c1C1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.35
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
P4HB P07237 1/20 0.33
GPR55 Q9Y2T6 1/20 0.32
CYP3A4 P08684 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 2/20 0.32
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ELAVL1 Q15717 1/20 0.31
KMT2A Q03164 3/20 0.31

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
SCHEMBL515828 0.93 PTPN1 (0.36) PTPN1ALDH1A1THRBP4HBGPR55
SCHEMBL449518 0.86 SMN1; SMN2 (0.42) ALDH1A1LMNATHRBCYP3A4CYP1A2
SCHEMBL449604 0.86 SMN1; SMN2 (0.42) ALDH1A1LMNATHRBCYP3A4CYP1A2
SCHEMBL10187562 0.70 MEN1 (0.35) ALDH1A1LMNATHRBCYP3A4CYP1A2
SCHEMBL406669 0.68 SLC6A2 (0.41) ALDH1A1CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL11539847 0.66 MEN1 (0.38) ALDH1A1LMNACYP1A2CYP2C19KMT2A
SCHEMBL16018035 0.65 CYP3A4 (0.44) PTPN1ALDH1A1P4HBGPR55CYP3A4
SCHEMBL449517 0.65 LMNA (0.37) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL15839585 0.65 SLC6A3 (0.31) ALDH1A1CHRM1TBXA2RADRA1ASLC6A3
SCHEMBL447364 0.64 NOS3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP claimed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 WO claimed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
EP-2393769-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 WO disclosed
EP-2144630-A2 CHK1 INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES AstraZeneca AB (SE) 2010-01-20 EP disclosed
WO-2008132500-A2 CHKL INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2008-11-06 WO 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 (1 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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PTPN1 374/4885ALDH1A1 14/4885LMNA 4657/4885

“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.