SCHEMBL5408542

SCHEMBL5408542

CCCCCCC1CCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.68
SIGMAR1 Q99720 3/20 0.50
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LSS P48449 2/20 0.43
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL28183921 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL9206264 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL9213811 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL25395178 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL9202670 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL25395501 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL9202673 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL627037 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL9118164 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL11459435 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1ALDH1A1LSS

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240131040-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS Natural Extraction Systems, LLC (US) 2024-04-25 US claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
US-20230073802-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS Natural Extraction Systems, LLC (US) 2023-03-09 US claimed
US-20220387376-A1 Compositions Comprising Cannabinoid Molecules that are Dissolved in Water-Miscible Solvents NATURAL EXTRACTION SYS LLC (US) 2022-12-08 US claimed
US-20220387351-A1 Compositions and Methods Related to Organic Oxides Natural Extraction Systems, LLC 2022-12-08 US claimed
WO-2022026960-A1 COMPOSITIONS AND METHODS RELATED TO EXCIPIENTS AND CANNABINOID FORMULATIONS Natural Extraction Systems, LLC (US) 2022-02-03 WO claimed
US-20210360947-A1 COMPOSITIONS AND METHODS RELATED TO EXCIPIENTS AND CANNABINOID FORMULATIONS Natural Extraction Systems, LLC 2021-11-25 US claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158714-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021087291-A1 COMPOSITIONS AND METHODS RELATED TO ORGANIC OXIDES Natural Extraction Systems, LLC (US) 2021-05-06 WO claimed
WO-2021076936-A1 COMPOSITIONS COMPRISING CANNABINOID MOLECULES THAT ARE DISSOLVED IN WATER-MISCIBLE SOLVENTS Natural Extraction Systems, LLC (US) 2021-04-22 WO claimed
WO-2021041637-A1 COMPOSITIONS COMPRISING CANNABINOID IONS DISSOLVING IN GLYCEROL Natural Extraction Systems, LLC (US) 2021-03-04 WO claimed
US-4178367-A Prostaglandin I2 analogues ONO PHARMACEUTICAL CO. LTD. (JP) 1979-12-11 US claimed
US-12441901-B2 Quantum dot ink composition, and quantum dot electroluminescent device SAMSUNG ELECTRONICS CO., LTD. (KR) 2025-10-14 US disclosed
US-20240131040-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS Natural Extraction Systems, LLC (US) 2024-04-25 US disclosed
US-20230287231-A1 QUANTUM DOT INK COMPOSITION, AND QUANTUM DOT ELECTROLUMINESCENT DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-09-14 US disclosed
US-4278688-A Prostaglandin analogues ONO PHARMACEUTICAL CO. (JP) 1981-07-14 US disclosed
US-4234597-A 6,9-Nitrilo(imino)-prostaglandin analogues ONO PHARMACEUTICAL CO. LTD. (JP) 1980-11-18 US disclosed
US-4215142-A Prostaglandin analogues ONO PHARMACEUTICAL CO. LTD. (JP) 1980-07-29 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 (6 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-20220387376-A1 Compositions Comprising Cannabinoid Molecules that are Dissolved in Water-Miscible Solvents CNR2, CNR1, PHOSPHO1 CYP1A2 1223/4885SIGMAR1 227/4885EPHX1 496/4885
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB CYP1A2 3865/4885SIGMAR1 3351/4885EPHX1 931/4885
US-20220387351-A1 Compositions and Methods Related to Organic Oxides LPO, SLCO2A1, SLCO2B1 CYP1A2 141/4885SIGMAR1 185/4885EPHX1 508/4885
US-20240131040-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS CNR1, CNR2, OPRD1 CYP1A2 3533/4885SIGMAR1 40/4885EPHX1 3426/4885
US-20210360947-A1 COMPOSITIONS AND METHODS RELATED TO EXCIPIENTS AND CANNABINOID FORMULATIONS CNR2, CNR1, FAAH CYP1A2 1794/4885SIGMAR1 2030/4885EPHX1 471/4885
US-20230073802-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS CNR2, CNR1, FAAH CYP1A2 1824/4885SIGMAR1 353/4885EPHX1 1305/4885

“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.