SCHEMBL7123500

SCHEMBL7123500

CC(C)c1cc(I)cc(C(C)C)c1N

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.58
GABRB1 P18505 3/20 0.58
GABRB2 P47870 1/20 0.58
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
TTR P02766 1/20 0.32
P2RX3 P56373 4/20 0.32
P2RX2 Q9UBL9 4/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL21542678 0.86 GABRA1 (0.50) GABRA1GABRB1GABRB2POLBGAA
SCHEMBL28454010 0.79 GABRA1 (0.58) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL461449 0.78 CA1 (0.55) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL2155116 0.78 ALDH1A1 (0.38) GABRA1GABRB1GABRB2CA1CA2
Methane SCHEMBL27861345 0.76 CA1 (0.52) GABRA1GABRB1GABRB2CA1CA2
Hydrochloric Acid SCHEMBL5431425 0.76 GAA (0.38) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL3440745 0.76 GABRA1 (0.50) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL29926096 0.76 CA1 (0.52) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL15082621 0.76 GABRA1 (0.61) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL2735032 0.76 NOS2 (0.43) CA1CA2POLBGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976023-B1 Synthetic route to 2,2',6,6'-tetraisopropyl-4,4'-diiodoazobenzene via homo-oxidative cross-coupling of aryl diazonium salt using cu-catalyzed sandmeyer-style reaction King Faisal University (SA) 2024-05-07 US claimed
CN-116554044-A 2, 6-diisopropyl-4-carboxyaniline without amino protection and synthesis method thereof 上海师范大学 2023-08-08 CN claimed
CN-110229080-A Alpha-diimine nickel metal-organic solution deposition, porous organic polymer and its application 山东师范大学 2019-09-13 CN claimed
US-20260002073-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2026-01-01 US disclosed
CN-119955072-A Carbazole and carbene iridium difunctional super-crosslinked porous organic polymer and preparation method and application thereof 浙江工业大学 2025-05-09 CN disclosed
EP-4527868-A2 COMPOUND AND POLYMERIC COMPOUND INCLUDING SAID COMPOUND Japan Science and Technology Agency (JP) 2025-03-26 EP disclosed
WO-2024247648-A1 TUMOR THERAPEUTIC AGENT, AND COMPLEX 学校法人兵庫医科大学 2024-12-05 WO disclosed
US-12145938-B2 Compound and polymer compound containing the compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-11-19 US disclosed
US-12122918-B2 Drug that reacts with acrolein, use thereof and novel compound RIKEN (JP) 2024-10-22 US disclosed
US-12075690-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION 2024-08-27 US disclosed
US-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-07-04 US disclosed
US-20210002284-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2021-01-07 US disclosed
US-20210002284-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2021-01-07 US disclosed
CN-111788206-A Compound and polymer compound containing the same 国立研究开发法人科学技术振兴机构 2020-10-16 CN disclosed
CN-110229080-A Alpha-diimine nickel metal-organic solution deposition, porous organic polymer and its application 山东师范大学 2019-09-13 CN disclosed
WO-2019172200-A1 COMPOUND AND POLYMERIC COMPOUND INCLUDING SAID COMPOUND 国立研究開発法人科学技術振興機構 2019-09-12 WO disclosed
US-20190189935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-06-20 US disclosed
US-20190189935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-06-20 US disclosed
US-6664408-B2 Contacting a polyoxometalate and an amine in the presence of a diimide THE CURATORS OF THE UNIVERSITY OF MISSOURI 2003-12-16 US disclosed
US-20020165405-A1 Process for preparing organically-substituted polyoxometalates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2002-11-07 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-20020165405-A1 Process for preparing organically-substituted polyoxometalates TET2, ALKBH3, FTO GABRA1 1608/4885GABRB1 2457/4885GABRB2 2704/4885
US-20190189935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OR10J3, OXER1, CHRM4 GABRA1 3050/4885GABRB1 3350/4885GABRB2 3618/4885
US-20260002073-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OPRD1, OR10J3 GABRA1 2657/4885GABRB1 1939/4885GABRB2 2577/4885
US-11976023-B1 Synthetic route to 2,2',6,6'-tetraisopropyl-4,4'-diiodoazobenzene via homo-oxidative cross-coupling of aryl diazonium salt using cu-catalyzed sandmeyer-style reaction CYP4Z1, SOD1, AOC2 GABRA1 1640/4885GABRB1 524/4885GABRB2 391/4885
US-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND RAD51, MDM2, UBE2D3 GABRA1 4768/4885GABRB1 4804/4885GABRB2 4807/4885
US-12145938-B2 Compound and polymer compound containing the compound RAD51, MDM2, UBE2D3 GABRA1 4768/4885GABRB1 4804/4885GABRB2 4807/4885
US-12122918-B2 Drug that reacts with acrolein, use thereof and novel compound ACR, CYP2E1, CES2 GABRA1 718/4885GABRB1 1188/4885GABRB2 1696/4885
US-12075690-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OPRM1 GABRA1 3877/4885GABRB1 4222/4885GABRB2 4121/4885
US-20210002284-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND RAD51, MDM2, UBE2D3 GABRA1 4765/4885GABRB1 4805/4885GABRB2 4809/4885

“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.