SCHEMBL701016

SCHEMBL701016

C=[C]C(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.41
TAAR1 Q96RJ0 4/20 0.41
KDM4E B2RXH2 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 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
SCHEMBL9303811 0.78 MIF (0.44) MIFTAAR1KDM4EADRA2AADRA2C
SCHEMBL2867417 0.78 MIF (0.44) MIFTAAR1KDM4EADRA2AADRA2C
SCHEMBL8733281 0.76 MIF (0.43) MIFTAAR1KDM4EADRA2AADRA2C
Isopropylbenzene SCHEMBL28152323 0.76 MIF (0.43) MIFTAAR1KDM4EADRA2AADRA2C
SCHEMBL1453760 0.75 MIF (0.39) MIFTAAR1KDM4EADRA2AADRA2C
SCHEMBL97552 0.74 MIF (0.41) MIFTAAR1KDM4EADRA2AADRA2C
SCHEMBL198507 0.74 TSHR (0.52) MIFTAAR1KDM4EADRA2AADRA2C
SCHEMBL8711629 0.74 MIF (0.41) MIFTAAR1KDM4EADRA2AADRA2C
SCHEMBL7039581 0.74 TSHR (0.52) MIFTAAR1KDM4EADRA2AADRA2C
SCHEMBL3151083 0.74 MIF (0.41) MIFTAAR1KDM4EADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137092-A1 Composition and Method for the Treatment and Prevention of Cardiac, Pulmonary, Dermal, and Renal Fibrosis EMERALD HEALTH PHARMACEUTICALS INC. (US) 2023-05-04 US disclosed
EP-4099993-A1 COMPOSITION AND METHOD FOR THE TREATMENT AND PREVENTION OF CARDIAC, PULMONARY, DERMAL, AND RENAL FIBROSIS Emerald Health Pharmaceuticals Inc. (US) 2022-12-14 EP disclosed
US-20220184003-A1 Formulations of Cannabidiol Derivatives and Their Use as Modulators of Cannabinoid Receptor Type 2 (CB2) EMERALD HEALTH PHARMACEUTICALS INC (US) 2022-06-16 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
CN-113544117-A Formulations of cannabidiol derivatives and their use as cannabinoid type 2 receptors (CB)2) Use of the modulators of 埃默拉尔德健康制药公司 2021-10-22 CN disclosed
WO-2021159059-A1 COMPOSITION AND METHOD FOR THE TREATMENT AND PREVENTION OF CARDIAC, PULMONARY, DERMAL, AND RENAL FIBROSIS EMERALD HEALTH PHARMACEUTICALS INC. (US) 2021-08-12 WO disclosed
CN-109195979-B Catalyst for the hydroformylation of olefins and use thereof 柏林工业大学 2021-06-15 CN disclosed
US-10947335-B2 Triazine-precondensate-aldehyde condensation products and method for obtaining the same BOREALIS AGROLINZ MELAMINE GMBH (AT) 2021-03-16 US disclosed
US-10941123-B2 Triazine precondensate and method for obtaining the same BOREALIS AGROLINZ MELAMINE GMBH (DE) 2021-03-09 US disclosed
EP-3478668-B1 NOVEL TRIAZINE PRECONDENSATE AND METHOD FOR OBTAINING THE SAME BOREALIS AGROLINZ MELAMINE (AT) 2021-02-24 EP disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO disclosed
CN-1022685-C Hydrofluorene derivatives OTSUKA PHARMA CO LTD (JP) 1993-11-10 CN disclosed
EP-0148883-B1 ALLOPURINOL PRODRUGS A/S GEA Farmaceutisk Fabrik (DK) 1990-02-14 EP disclosed
US-4742073-A ANTIGLAUCOMA BUNDGAARD HANS (DK) 1988-05-03 US disclosed
US-4694006-A Acyl- or acyloxymethyl-allopurinol prodrugs A/S GEA (DK) 1987-09-15 US disclosed
EP-0106541-A2 Pilocarpine prodrugs Bundgaard, Hans (DK) 1984-04-25 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 (5 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-10947335-B2 Triazine-precondensate-aldehyde condensation products and method for obtaining the same ALDH5A1, DERA, ALDOA MIF 3781/4885TAAR1 554/4885KDM4E 2563/4885
US-20220184003-A1 Formulations of Cannabidiol Derivatives and Their Use as Modulators of Cannabinoid Receptor Type 2 (CB2) CNR2, CNR1, MAG MIF 4625/4885TAAR1 470/4885KDM4E 3135/4885
US-10941123-B2 Triazine precondensate and method for obtaining the same NDUFS5, CBR3, MT-ND5 MIF 4748/4885TAAR1 77/4885KDM4E 2893/4885
US-20230137092-A1 Composition and Method for the Treatment and Prevention of Cardiac, Pulmonary, Dermal, and Renal Fibrosis FABP3, JUP, DSP MIF 4120/4885TAAR1 1440/4885KDM4E 3440/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 MIF 3416/4885TAAR1 145/4885KDM4E 2679/4885

“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.