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Sugi Predict / Compounds / SCHEMBL16079756

SCHEMBL16079756

SCHEMBL16079756

C=C(C)c1ccc(C)c2oc3cc(CCC)cc(O)c3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ HTT P42858 6/20 0.51
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CNR1 P21554 5/20 0.34
▸ CNR2 P34972 5/20 0.34
▸ TRPA1 O75762 2/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ TRPV3 Q8NET8 2/20 0.34
▸ TRPV4 Q9HBA0 2/20 0.34
▸ TRPV2 Q9Y5S1 2/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ GPR6 P46095 1/20 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
SCHEMBL25560742 0.93 ALDH1A1 (0.49) ALDH1A1HTTGAASMN1; SMN2TP53
SCHEMBL29352274 0.92 ALDH1A1 (0.54) ALDH1A1HTTGAASMN1; SMN2TP53
SCHEMBL13214162 0.92 ALDH1A1 (0.54) ALDH1A1HTTGAASMN1; SMN2TP53
SCHEMBL25561086 0.88 ALDH1A1 (0.41) ALDH1A1HTTGAASMN1; SMN2TP53
SCHEMBL22622501 0.82 ALDH1A1 (0.38) ALDH1A1HTTGAASMN1; SMN2TSHR
SCHEMBL22916111 0.80 ALDH1A1 (0.54) ALDH1A1HTTGAASMN1; SMN2TP53
SCHEMBL25877896 0.80 ALDH1A1 (0.57) ALDH1A1HTTGAASMN1; SMN2TP53
SCHEMBL23008681 0.79 ALDH1A1 (0.52) ALDH1A1HTTGAASMN1; SMN2TP53
SCHEMBL26075778 0.74 PTPN1 (0.35) CNR1CNR2
SCHEMBL29349816 0.71 ALDH1A1 (0.55) ALDH1A1HTTGAASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131989-A1 CANNABINOID COMPOSITIONS AND METHODS OF USING FOR THE TREATMENT OF NON-EOSINOPHILIC INFLAMMATION AND INFLAMMATORY DISORDERS MEDTERRA PHARMA LLC 2023-04-27 — — US disclosed
US-20230131989-A1 CANNABINOID COMPOSITIONS AND METHODS OF USING FOR THE TREATMENT OF NON-EOSINOPHILIC INFLAMMATION AND INFLAMMATORY DISORDERS MEDTERRA PHARMA LLC 2023-04-27 — — US disclosed
US-20210045311-A1 PROPYL CANNABINOID HEMP PLANTS, METHODS OF PRODUCING AND METHODS OF USING THEM BIOTECH INST LLC (US) 2021-02-18 — — US disclosed
US-20140271940-A1 BIOACTIVE CONCENTRATES AND USES THEREOF SC LABORATORIES, INC. (US) 2014-09-18 — — 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-20210045311-A1 PROPYL CANNABINOID HEMP PLANTS, METHODS OF PRODUCING AND METHODS OF USING THEM CNR2, CNR1, PLCB3 ALDH1A1 4267/4885HTT 271/4885GAA 4663/4885
US-20230131989-A1 CANNABINOID COMPOSITIONS AND METHODS OF USING FOR THE TREATMENT OF NON-EOSINOPHILIC INFLAMMATION AND INFLAMMATORY DISORDERS CNR2, CNR1, FAAH2 ALDH1A1 3395/4885HTT 2571/4885GAA 3205/4885
US-20140271940-A1 BIOACTIVE CONCENTRATES AND USES THEREOF CNR2, CNR1, CDIPT ALDH1A1 3337/4885HTT 2280/4885GAA 2199/4885

“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.