SCHEMBL232744

SCHEMBL232744

Ic1[c]ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP2A6 P11509 6/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPRT1 P00492 1/20 0.40
▸ HIF1A Q16665 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ CYP1A2 P05177 6/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ PTPN22 Q9Y2R2 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NR4A1 P22736 1/20 0.31
▸ NR4A2 P43354 1/20 0.31

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
SCHEMBL114219 0.75 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL232693 0.71 CYP2A6 (0.43) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL232112 0.71 CYP2A6 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL17911639 0.71 ALDH1A1 (0.43) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL232794 0.71 ALDH1A1 (0.43) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL533954 0.71 CYP1A2 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL6023032 0.71 ALDH1A1 (0.43) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL5518922 0.71 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL20507044 0.71 ALDH1A1 (0.43) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL219753 0.71 CYP2A6 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045796-B2 Process for producing aromatic compound, and palladium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 — — US disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20180369799-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-12-27 — — US disclosed
EP-3385270-A1 METHOD FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX Sumitomo Chemical Company, Ltd (JP) 2018-10-10 — — EP disclosed
EP-2252293-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2018-06-27 — — EP disclosed
US-9982087-B2 Method for producing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-29 — — US disclosed
EP-2871199-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-02-21 — — EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 — — EP disclosed
EP-2871198-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-06-14 — — EP disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 — — US disclosed
CN-100582087-C 2-amino-bicyclo [3.1.0] hexane-2, 6-dicarboxylic acid ester derivatives TAISHO PHARMACEUTICAL CO LTD 2010-01-20 — — CN disclosed
US-20090306408-A1 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 — — US disclosed
EP-2123630-A1 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative Taisho Pharmaceutical Co. Ltd. (JP) 2009-11-25 — — EP disclosed
WO-2009114874-A2 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 — — WO disclosed
WO-2009114870-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 — — WO disclosed
US-7381746-B2 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 — — US disclosed
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-25 — — US disclosed
CN-1812960-A 2-amino-bicyclo [3.1.0] hexane-2, 6-dicarboxylic acid ester derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-08-02 — — CN disclosed
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-06-29 — — US disclosed
EP-1637517-A1 2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-03-22 — — 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 (6 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-11045796-B2 Process for producing aromatic compound, and palladium complex DDT, DRD1, DRD2 ALDH1A1 1822/4885CYP2A6 738/4885HSD17B10 775/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885CYP2A6 375/4885HSD17B10 339/4885
US-20090306408-A1 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative GRIK4, GRIN2D, GRIN2C ALDH1A1 720/4885CYP2A6 953/4885HSD17B10 522/4885
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative GRIN2C, GRIK4, GRIN2B ALDH1A1 479/4885CYP2A6 865/4885HSD17B10 608/4885
US-20180369799-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX DDT, DRD1, DRD2 ALDH1A1 1822/4885CYP2A6 738/4885HSD17B10 775/4885
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative GRIA3, GRIN3A, GRM3 ALDH1A1 1403/4885CYP2A6 1307/4885HSD17B10 531/4885

“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.

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