SCHEMBL1627734

SCHEMBL1627734

O=C(Cl)C1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.66
HSD11B1 P28845 8/20 0.60
ALDH1A1 P00352 3/20 0.55
HDAC1 Q13547 1/20 0.50
AKR1C1 Q04828 1/20 0.47
FFAR2 O15552 2/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL4805246 0.98 HDAC4 (0.64) HDAC4HSD11B1ALDH1A1HDAC1AKR1C1
SCHEMBL3443425 0.96 HDAC4 (0.61) HDAC4HSD11B1ALDH1A1HDAC1AKR1C1
SCHEMBL3554737 0.92 HSD11B1 (0.58) HDAC4HSD11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL1362197 0.90 HDAC4 (0.55) HDAC4HSD11B1ALDH1A1HDAC1FFAR2
SCHEMBL503762 0.84 AKR1C1 (0.68) HDAC4HSD11B1ALDH1A1HDAC1AKR1C1
SCHEMBL28577323 0.82 HSD11B1 (0.50) HDAC4HSD11B1ALDH1A1HDAC1AKR1C1
Hydrochloric Acid SCHEMBL5741878 0.82 AKR1C1 (0.66) HDAC4HSD11B1ALDH1A1HDAC1AKR1C1
SCHEMBL28915895 0.82 HDAC4 (0.50) HDAC4HSD11B1ALDH1A1HDAC1AKR1C1
SCHEMBL11282279 0.82 MAPT (0.48) HDAC4HSD11B1ALDH1A1AKR1C1MAPT
SCHEMBL694700 0.82 AKR1C1 (0.66) HDAC4HSD11B1ALDH1A1HDAC1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113061098-B Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-08-30 CN disclosed
CN-113061098-A Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-07-02 CN disclosed
EP-2346865-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2015-07-15 EP disclosed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
EP-2346865-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2011-07-27 EP disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US disclosed
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US disclosed
US-6472394-B1 MCH antagonists and their use in the treatment of obesity SCHERING CORPORATION 2002-10-29 US disclosed
US-6464956-B1 N-METHYL-N-((1-PHENYLCYCLOPENTYL)METHYL) HEPTA(HEXA-, OR PENTA-)METHYLENEIMINIUM CATION TEMPLATE; HYDROCRACKING CATALYST CHEVRON U.S.A. INC. 2002-10-15 US disclosed
US-6461578-B1 Using zeolite SSZ-59 for reduction of oxides of nitrogen in a gas stream CHEVRON U.S.A. INC. 2002-10-08 US disclosed
EP-1054886-B1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-09-04 EP disclosed
US-20020085976-A1 Process for preparing zeolites CHEVRON U.S.A. INC. 2002-07-04 US disclosed
WO-2002051809-A1 PIPERIDINE MCH ANTAGONISTS AND THEIR USE IN THE TREATMENT OF OBESITY SCHERING CORPORATION (US) 2002-07-04 WO disclosed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO disclosed
US-4267174-A AND PROCESS FOR ADMINISTERING BOEHRINGER MANNHEIM, GMBH (DE) 1981-05-12 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 (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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 HDAC4 1926/4885HSD11B1 2905/4885ALDH1A1 2574/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 HDAC4 1926/4885HSD11B1 2905/4885ALDH1A1 2574/4885
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR HDAC4 3076/4885HSD11B1 163/4885ALDH1A1 1134/4885
US-20020169203-A1 Ion channel modulating agents KCNN3, KCNN1, KCNN2 HDAC4 1092/4885HSD11B1 4518/4885ALDH1A1 4482/4885

“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.