SCHEMBL682768

SCHEMBL682768

COc1ccc(C(C)C)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
P2RX3 P56373 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
CYP2D6 P10635 2/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
LPAR1 Q92633 2/20 0.49
ADRA2A P08913 2/20 0.49
ADRA1A P35348 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL13400663 0.86 LPAR1 (0.42) CA12CA1CA2CA7CA9
Ammonia Solution, Strong SCHEMBL7992450 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8785084 0.84 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL4172951 0.83 CYP2D6 (0.59) CA12CA1CA2CA7CA9
SCHEMBL11709428 0.83 ADRA2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL5192232 0.83 CYP2D6 (0.59) CA12CA1CA2CA7CA9
SCHEMBL19217960 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4188000 0.83 CYP2D6 (0.59) CA12CA1CA2CA7CA9
SCHEMBL22260376 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL11709828 0.83 CA12 (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744243-B (E)-2-phenyl-3-(3,5-dimethoxy-4 '-isopropyl benzene) purification method of propenoic acid HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-06 CN claimed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2023-08-15 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed
EP-1017693-A1 CARBOXAMIDOTHIAZOLE DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-07-12 EP disclosed
WO-1999015525-A1 CARBOXAMIDOTHIAZOLE DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 1999-04-01 WO disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (9 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-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CA12 4832/4885CA1 4484/4885CA2 4269/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 CA12 4189/4885CA1 3763/4885CA2 4265/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 CA12 4880/4885CA1 4767/4885CA2 4223/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 CA12 3221/4885CA1 4502/4885CA2 4249/4885
US-11819476-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR CA12 4839/4885CA1 4798/4885CA2 4422/4885
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof SIK1, SIK2, SIK3 CA12 4856/4885CA1 4647/4885CA2 3839/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 CA12 1315/4885CA1 2104/4885CA2 499/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 CA12 4784/4885CA1 4880/4885CA2 4794/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 CA12 4024/4885CA1 3875/4885CA2 1264/4885

“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.