SCHEMBL456517

SCHEMBL456517

FC(F)(F)c1[c]ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 3/20 0.39
CYP2A6 P11509 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 3/20 0.37
CYP3A4 P08684 1/20 0.37
KEAP1 Q14145 1/20 0.37
HPRT1 P00492 2/20 0.36
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP1A2 P05177 3/20 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
SCHEMBL6067185 0.85 HPRT1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL18378094 0.84 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL6066823 0.82 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EMEN1MAPT
SCHEMBL18242221 0.81 ELANE (0.36) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL18242202 0.80 ALDH1A1 (0.33) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL7299472 0.79 CYP2A6 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL2502071 0.79 CYP2A6 (0.39) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL18242107 0.76 CYP2A6 (0.36) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL2494471 0.73 CYP2D6 (0.34) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL18243200 0.73 CYP2A6 (0.33) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7077977-B2 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-18 US claimed
US-20040254065-A1 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-16 US claimed
EP-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 EP claimed
WO-2003049856-A1 BULKY BORATE ACTIVATORS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-19 WO claimed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP claimed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN 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-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
CN-1091128-A Piperidine derivative SANKYO CO (JP) 1994-08-24 CN disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN 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 (4 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885HSD17B10 339/4885TSHR 648/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885HSD17B10 2081/4885TSHR 565/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 ALDH1A1 1868/4885HSD17B10 2757/4885TSHR 2116/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885HSD17B10 2081/4885TSHR 565/4885

“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.