SCHEMBL4248701

SCHEMBL4248701

CCCN1CCN(c2cc(OC)cc3c(=O)cc(C(=O)OCC)oc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.48
KDM4E B2RXH2 6/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
MAOB P27338 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 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
SCHEMBL4251118 0.94 GPR35 (0.47) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4250257 0.92 GPR35 (0.49) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4247593 0.92 GPR35 (0.49) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4994397 0.92 GPR35 (0.48) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4989412 0.88 GPR35 (0.46) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4249890 0.88 GPR35 (0.48) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4254261 0.87 GPR35 (0.46) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4249962 0.87 ACHE (0.55) GPR35KDM4EMEN1KMT2AALDH1A1
SCHEMBL4988821 0.84 MEN1 (0.46) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4995314 0.80 ATM (0.52) GPR35KDM4EMEN1KMT2AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 US disclosed
EP-1945624-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS Astra Zeneca AB (SE) 2008-07-23 EP disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 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 (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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 GPR35 1756/4885KDM4E 2353/4885MEN1 214/4885
US-20090170851-A1 Chroman Compounds CYP3A43, CYP2C9, CYP2C8 GPR35 1814/4885KDM4E 2050/4885MEN1 268/4885
US-20070185107-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 GPR35 1814/4885KDM4E 2050/4885MEN1 268/4885

“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.