SCHEMBL6831487

SCHEMBL6831487

CC(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 6/20 0.50
SLC6A4 P31645 8/20 0.49
SLC6A2 P23975 5/20 0.49
NR2E1 Q9Y466 5/20 0.49
CYP1A2 P05177 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PGR P06401 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.46
HTR1D P28221 1/20 0.46
CYP2D6 P10635 4/20 0.45
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
HTR2B P41595 3/20 0.45

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
SCHEMBL9654112 0.92 HTR1B (0.47) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL10768376 0.91 KCNA3 (0.49) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL4982131 0.87 CYP1A2 (0.56) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL4056612 0.85 NR2E1 (0.48) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL7214604 0.84 CYP1A2 (0.46) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL6712567 0.84 KDM4E (0.44) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL11784563 0.84 HTR1B (0.45) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL23067897 0.83 HTR1B (0.47) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL6301620 0.83 HTR1B (0.47) HTR1BSLC6A4SLC6A2NR2E1CYP1A2
SCHEMBL8344333 0.83 MCHR1 (0.51) HTR1BSLC6A4SLC6A2NR2E1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106808-A1 Processes for preparing calanolide a and intermediates thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-06-03 US disclosed
EP-1352907-A1 PROCESSES FOR PREPARING CALANOLIDE A AND INTERMEDIATES THEREOF KURARAY CO., LTD. (JP) 2003-10-15 EP 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-20040106808-A1 Processes for preparing calanolide a and intermediates thereof CALR, CYP51A1, CYP4A11 HTR1B 4154/4885SLC6A4 4526/4885SLC6A2 4702/4885

“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.