SCHEMBL7940988

SCHEMBL7940988

CCCCCc1nc(O)cc(O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.51
PTGS2 P35354 4/20 0.47
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 2/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 1/20 0.41
HSPE1 P61604 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL10429464 0.98 GPR84 (0.53) GPR84PTGS2CYP3A4KDM4EESR1
SCHEMBL10429469 0.93 GPR84 (0.44) GPR84PTGS2CYP3A4LMNASMN1; SMN2
SCHEMBL10395258 0.87 GPR84 (0.45) GPR84PTGS2CYP3A4KDM4EADORA3
Acetic Acid SCHEMBL8805905 0.84 HCAR2 (0.44) GPR84CYP3A4KDM4EALDH1A1LMNA
SCHEMBL10429473 0.84 GPR84 (0.39) GPR84PTGS2CYP3A4KDM4ELMNA
SCHEMBL23462881 0.82 GPR84 (0.45) GPR84PTGS2CYP3A4KDM4ESMN1; SMN2
SCHEMBL11793932 0.82 GPR84 (0.44) GPR84PTGS2CYP3A4KDM4EESR1
SCHEMBL11794208 0.82 GPR84 (0.44) GPR84PTGS2CYP3A4KDM4EESR1
SCHEMBL3281922 0.82 HTT (0.41) GPR84PTGS2CYP3A4KDM4EALDH1A1
SCHEMBL9843770 0.82 NOS2 (0.44) GPR84PTGS2CYP3A4ESR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163387-A1 ONE-STEP FLOW-MEDIATED SYNTHESIS OF CANNABIDIOL (CBD) AND DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 2021-06-03 US disclosed
US-10981850-B2 One-step flow-mediated synthesis of cannabidiol (CBD) and derivatives TRUSTEES OF BOSTON UNIVERSITY (US) 2021-04-20 US disclosed
WO-2020214574-A1 ONE-STEP FLOW-MEDIATED SYNTHESIS OF CANNABIDIOL (CBD) AND DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 2020-10-22 WO disclosed
US-20200325091-A1 ONE-STEP FLOW-MEDIATED SYNTHESIS OF CANNABIDIOL (CBD) AND DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 2020-10-15 US disclosed
US-6248571-B1 USING RHODOCOCCUS TO CONVERT STARTING MATERIAL INTO MALONIC ACID DERVIATIVE, THEN CYCLIZING WITH CARBOXAMIDE IN PRESENCE OF BASE; CHEMICAL INTERMEDIATES FOR INSECTICIDES LONZA AG (CH) 2001-06-19 US disclosed
EP-0852580-B1 METHOD OF PRODUCING DIHYDROXYPYRIMIDINE DERIVATIVES LONZA AG (CH) 2000-10-25 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 (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-10981850-B2 One-step flow-mediated synthesis of cannabidiol (CBD) and derivatives CNR1, CNR2, SQLE GPR84 1649/4885PTGS2 911/4885CYP3A4 57/4885
US-20210163387-A1 ONE-STEP FLOW-MEDIATED SYNTHESIS OF CANNABIDIOL (CBD) AND DERIVATIVES CNR1, CNR2, SQLE GPR84 1649/4885PTGS2 911/4885CYP3A4 57/4885
US-20200325091-A1 ONE-STEP FLOW-MEDIATED SYNTHESIS OF CANNABIDIOL (CBD) AND DERIVATIVES CNR1, CNR2, SQLE GPR84 1649/4885PTGS2 911/4885CYP3A4 57/4885

“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.