SCHEMBL112046

SCHEMBL112046

COC(=O)c1cc(F)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
ALPL P05186 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 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
SCHEMBL2708451 0.86 SLC6A4 (0.51) CES2CES1SLC6A4SLC6A3TSHR
SCHEMBL30301996 0.86 SLC6A4 (0.51) CES2CES1SLC6A4SLC6A3TSHR
SCHEMBL14012584 0.84 CES2 (0.61) CES2CES1SLC6A4SLC6A3ALDH1A1
SCHEMBL523258 0.84 CES2 (0.61) CES2CES1SLC6A4SLC6A3ALDH1A1
SCHEMBL1462096 0.82 ABL1 (0.61) SLC6A4SLC6A3TSHRALDH1A1HPGD
SCHEMBL2060214 0.82 CYP46A1 (0.53) TSHRALDH1A1HPGDHSD17B10NPC1
SCHEMBL31258832 0.82 CA12 (0.67) SLC6A4SLC6A3TSHRALDH1A1HSD17B10
SCHEMBL1367028 0.82 CA12 (0.67) SLC6A4SLC6A3TSHRALDH1A1HSD17B10
SCHEMBL1977659 0.82 SLC6A4 (0.49) CES2CES1SLC6A4SLC6A3TSHR
SCHEMBL1401556 0.82 KDM4E (0.58) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163445-B Larotinib intermediate and preparation method thereof 重庆医科大学 2023-06-20 CN claimed
CN-113321800-B Application of selective laser sintering by taking polyether-ether-ketone prepared from tetramethyl guanidine tetrafluoroborate as raw material 江汉大学 2023-05-23 CN claimed
CN-113429532-B Application of polyether-ether-ketone prepared from 1-butyl-3-methylimidazole bromide in selective laser sintering 江汉大学 2023-05-23 CN claimed
CN-113429562-B Application of selective laser sintering by taking polyether-ether-ketone as raw material 江汉大学 2023-05-23 CN claimed
CN-113429563-B Application of selective laser sintering by taking polyether-ether-ketone prepared by solvent as raw material 江汉大学 2023-05-23 CN claimed
CN-114865080-A Lithium ion battery electrolyte and lithium ion battery 香河昆仑新能源材料股份有限公司 2022-08-05 CN claimed
CN-114163445-A Raatinib intermediate and preparation method thereof 重庆医科大学 2022-03-11 CN claimed
CN-113429562-A Application of selective laser sintering by taking polyether-ether-ketone as raw material 江汉大学 2021-09-24 CN claimed
CN-113429532-A Application of selective laser sintering by using polyether-ether-ketone prepared from 1-butyl-3-methylimidazole bromine salt as raw material 江汉大学 2021-09-24 CN claimed
CN-113429563-A Application of selective laser sintering by using polyether-ether-ketone prepared by adopting solvent as raw material 江汉大学 2021-09-24 CN claimed
CN-113321800-A Application of selective laser sintering by using polyether-ether-ketone prepared from tetramethylguanidine tetrafluoroborate as raw material 江汉大学 2021-08-31 CN claimed
CN-108034047-B Application of selective laser sintering by taking polyether-ether-ketone as raw material 江汉大学 2021-06-22 CN claimed
CN-105732605-A Preparation method of isavuconazole intermediate 山东亨利医药科技有限责任公司 2016-07-06 CN claimed
CN-102131791-B Dibenzothiepiazane derivatives and their use ASTRAZENECA SWEDEN AB 2014-12-24 CN claimed
US-8653257-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2014-02-18 US claimed
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2012-08-09 US claimed
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
US-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LTD (IN) 2025-11-27 US disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 CES2 866/4885CES1 105/4885SLC6A4 1617/4885
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 DRD4, DRD2, GABBR1 CES2 2550/4885CES1 4544/4885SLC6A4 30/4885
US-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 CES2 2503/4885CES1 834/4885SLC6A4 3531/4885

“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.