SCHEMBL4046058

SCHEMBL4046058

Oc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.59
▸ NR1H2 P55055 1/20 0.59
▸ BAX Q07812 1/20 0.59
▸ ESR2 Q92731 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ESR1 P03372 2/20 0.56
▸ KCNH2 Q12809 1/20 0.46
▸ SCN3A Q9NY46 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ MITF O75030 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NLRP1 Q9C000 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
SCHEMBL6289347 0.89 ALDH1A1 (0.54) LTA4HMEN1KMT2AKCNH2SCN3A
SCHEMBL6290496 0.89 ALDH1A1 (0.54) LTA4HMEN1KMT2AKCNH2SCN3A
SCHEMBL6289422 0.87 SMN1; SMN2 (0.58) LTA4HMEN1KMT2AKCNH2SCN3A
SCHEMBL6293128 0.87 SMN1; SMN2 (0.58) LTA4HMEN1KMT2AKCNH2SCN3A
SCHEMBL6290467 0.87 SMN1; SMN2 (0.58) LTA4HMEN1KMT2AKCNH2SCN3A
SCHEMBL6290588 0.87 SMN1; SMN2 (0.58) LTA4HMEN1KMT2AKCNH2SCN3A
SCHEMBL6290729 0.87 SMN1; SMN2 (0.58) LTA4HMEN1KMT2AKCNH2SCN3A
SCHEMBL6290322 0.87 SMN1; SMN2 (0.58) LTA4HMEN1KMT2AKCNH2SCN3A
SCHEMBL6293835 0.86 ESR2 (0.57) ESR2ESR1KCNH2SCN3AMMP2
SCHEMBL7940811 0.85 ALDH1A1 (0.50) MEN1KMT2AKCNH2SCN3AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 — — US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 — — EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 — — US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 — — EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 — — WO disclosed
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 — — EP disclosed
CN-1281320-C Complex catalyst process for producing the complex catalyst and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL CO (JP) 2006-10-25 — — CN disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 — — US disclosed
CN-1225456-C Novel aromatic diamine and its polyimide MITSUI CHEMICALS INC (JP) 2005-11-02 — — CN disclosed
CN-1503696-A Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative using the complex catalyst ס�ѻ�ѧ��ҵ��ʽ���� 2004-06-09 — — CN disclosed
CN-1403438-A Novel aromatic diamine and its polyimide MITSUI CHEMICALS INC (JP) 2003-03-19 — — CN disclosed
EP-0411676-B1 Substituted dioxane derivatives CIBA GEIGY AG (CH) 1994-06-15 — — EP disclosed
EP-0411676-A1 Substituted dioxane derivatives CIBA-GEIGY AG (CH) 1991-02-06 — — EP disclosed
US-4971981-A PESTICIDES, INSECTICIDES, LARVICIDES CIBA-GEIGY CORPORATION (US) 1990-11-20 — — US disclosed
EP-0276196-A1 Substituted dioxolane derivatives CIBA-GEIGY AG (CH) 1988-07-27 — — EP disclosed
US-4625048-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1986-11-25 — — US disclosed
EP-0072475-B1 CARBAMIC ESTERS, PREPARATION THEREOF, PESTICIDAL COMPOSITIONS ON THE BASIS OF THESE COMPOUNDS AND THEIR USE IN COMBATING PESTS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-08-20 — — EP disclosed
US-4607051-A Carbamic acid compound and use as a pesticide HOFFMANN-LA ROCHE INC. (US) 1986-08-19 — — US disclosed
US-4413010-A Carbamic acid esters and use as pesticides HOFFMANN-LA ROCHE INC. (US) 1983-11-01 — — US disclosed
EP-0072475-A2 Carbamic esters, preparation thereof, pesticidal compositions on the basis of these compounds and their use in combating pests F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-02-23 — — 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 (2 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK LTA4H 1446/4885NR1H2 3917/4885BAX 1936/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK LTA4H 1446/4885NR1H2 3917/4885BAX 1936/4885

“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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