Sugi Predict

Sugi Predict / Compounds / SCHEMBL795457

SCHEMBL795457

SCHEMBL795457

COC(=O)c1cccc([I+]c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.60
▸ RAB9A P51151 3/20 0.55
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ CYP4F2 P78329 2/20 0.49
▸ CYP4A11 Q02928 2/20 0.49
▸ HIF1A Q16665 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KDM6B O15054 1/20 0.45
▸ KDM5C P41229 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45

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
SCHEMBL5165440 0.95 TSHR (0.55) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL30516320 0.95 TSHR (0.55) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL29457307 0.88 LOXL2 (0.49) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL12556800 0.84 CYP4F2 (0.51) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL794901 0.84 TSHR (0.67) TSHRRAB9APOLBALDH1A1HPGD
Methyl Benzoate SCHEMBL28106657 0.81 TSHR (0.83) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL34953 0.79 TSHR (0.70) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL91961 0.78 SMN1; SMN2 (0.42) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL8030645 0.78 ATM (0.65) RAB9AHIF1AALDH1A1HPGDNPC1
SCHEMBL795706 0.77 LOXL2 (0.49) TSHRRAB9ALOXL2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170038679-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND JSR CORPORATION (JP) 2017-02-09 — — US disclosed
US-9523911-B2 Radiation-sensitive resin composition, resist pattern-forming method, acid generator and compound JSR CORPORATION (JP) 2016-12-20 — — US disclosed
US-9188858-B2 Radiation-sensitive resin composition, method for forming resist pattern, acid generating agent and compound JSR CORPORATION (JP) 2015-11-17 — — US disclosed
US-9152044-B2 — — 2015-10-06 — — US disclosed
US-9122154-B2 Radiation-sensitive resin composition, and radiation-sensitive acid generating agent JSR CORPORATION (JP) 2015-09-01 — — US disclosed
US-9104102-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2015-08-11 — — US disclosed
US-8916333-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2014-12-23 — — US disclosed
US-20140342288-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND JSR CORPORATION (JP) 2014-11-20 — — US disclosed
US-8889888-B2 Sulfonic acid salt and derivative thereof, photo-acid generator, and process for production of sulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2014-11-18 — — US disclosed
US-8889335-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2014-11-18 — — US disclosed
US-7897821-B2 Sulfonium compound JSR CORPORATION (JP) 2011-03-01 — — US disclosed
US-20110014569-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2011-01-20 — — US disclosed
US-20100324329-A1 COMPOUND JSR CORPORATION (JP) 2010-12-23 — — US disclosed
US-7812105-B2 Compound, polymer, and radiation-sensitive composition JSR CORPORATION (JP) 2010-10-12 — — US disclosed
US-20100255420-A1 RADIATION SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2010-10-07 — — US disclosed
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100063232-A1 POLYMERIZABLE SULFONIC ACID ONIUM SALT AND RESIN JSR CORPORATION (JP) 2010-03-11 — — US disclosed
US-20100040977-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-18 — — US disclosed
US-20090069521-A1 Novel Compound, Polymer, and Radiation-Sensitive Composition JSR CORPORATION (JP) 2009-03-12 — — US disclosed
US-20070054214-A1 Acid generators, sulfonic acids, sulfonyl halides, and radiation sensitive resin compositions JSR CORPORATION (JP) 2007-03-08 — — 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 (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-20100063232-A1 POLYMERIZABLE SULFONIC ACID ONIUM SALT AND RESIN ASIC1, RER1, RPS10 TSHR 941/4885RAB9A 1319/4885LOXL2 2283/4885
US-20100324329-A1 COMPOUND AFF2, AFF1, AFF4 TSHR 890/4885RAB9A 1768/4885LOXL2 2488/4885
US-20090069521-A1 Novel Compound, Polymer, and Radiation-Sensitive Composition MRE11, RAD51, MRPS22 TSHR 2355/4885RAB9A 2223/4885LOXL2 807/4885
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION AFF1, RER1, AFF4 TSHR 1006/4885RAB9A 751/4885LOXL2 3416/4885
US-20170038679-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND RER1, ASIC1, GAR1 TSHR 2027/4885RAB9A 1242/4885LOXL2 4260/4885

“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.