SCHEMBL9734683

SCHEMBL9734683

CCc1cc(CC)cc(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
IDO1 P14902 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
TP53 P04637 1/20 0.33
FABP5 Q01469 1/20 0.32
TRPA1 O75762 2/20 0.32

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
SCHEMBL14606816 0.94 PTGS2 (0.36) PTGS2CYP1A2CYP2A6MAPK1L3MBTL1
SCHEMBL10526433 0.93 PTGS2 (0.32) PTGS2CYP1A2CYP2A6MAPK1L3MBTL1
SCHEMBL15249714 0.89 PLG (0.33) PTGS2CYP1A2CYP2A6IDO1LMNA
SCHEMBL24926425 0.89 GABRA1 (0.34) PTGS2CYP1A2CYP2A6GABRA1GABRB2
SCHEMBL17480809 0.85 NOS3 (0.37) MAPT
SCHEMBL24991856 0.85 GSR (0.48) CYP1A2L3MBTL1TSHRTDP1LMNA
SCHEMBL5165441 0.84 CYP3A4 (0.38) PTGS2CYP1A2MAPK1GABRA1GABRB2
SCHEMBL8225452 0.84 LMNA (0.33) PTGS2CYP1A2CYP2A6IDO1LMNA
SCHEMBL16959552 0.84 PTGS2 (0.30) PTGS2CYP1A2CYP2A6LMNA
SCHEMBL27299884 0.84 PTGS2 (0.30) PTGS2CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632940-A Polycarbodiimide compounds, preparation method thereof and liquid type hydrolysis-resistant agent composition 上海华峰新材料研发科技有限公司 2017-05-10 CN claimed
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
US-20230135894-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 US disclosed
US-20120157716-A1 Methods for Preparing Diaryl Disulfides UBE INDUSTRIES, LTD. (JP) 2012-06-21 US disclosed
CN-1018908-B COLOR-DEVELOPING SHEETS USING IN PRESSURE-SENSING CARBON PAPER MITSUI TOATSU CHEMICALS (JP) 1992-11-04 CN disclosed
EP-0233450-B1 LINEAR SALICYLIC ACID COPOLYMERS AND THEIR METAL SALTS, PRODUCTION PROCESS THEREOF, COLOR-DEVELOPING AGENTS COMPRISING METAL-RESINS OF THE COPOLYMERS, AND COLOR-DEVELOPING SHEETS EMPLOYING THE AGENTS MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed
CN-1007814-B Linear salicylic acid copolymer and method for producing metal salt thereof, and color-developing agent containing copolymer metal salt, and color-developing paper using the same MITSUI TOATSU CHEMICALS (JP) 1990-05-02 CN disclosed
CN-1040543-A Linear salicylic acid copolymer, process for producing metal salt thereof, color-developing agent containing copolymer metal salt, and color-developing paper using the same MITSUI TOATSU CHEMICALS (JP) 1990-03-21 CN disclosed
US-4783521-A Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-11-08 US disclosed
CN-87100709-A Linear salicylic acid copolymer and method for producing metal salt thereof, and color-developing agent containing copolymer metal salt, and color-developing paper using the same 1987-09-02 CN 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 (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-20230135894-A1 MK2 DEGRADERS AND USES THEREOF MKNK2, MKRN3, DUS2 PTGS2 131/4885CYP1A2 74/4885CYP2A6 604/4885
US-20120157716-A1 Methods for Preparing Diaryl Disulfides TST, P4HB, CBS PTGS2 1003/4885CYP1A2 1473/4885CYP2A6 627/4885
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE EXOC1, EXOC4, CHRM1 PTGS2 4163/4885CYP1A2 350/4885CYP2A6 1099/4885

“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.