SCHEMBL6837756

SCHEMBL6837756

COc1ccc(Br)c2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NQO2 P16083 3/20 0.38
ERN1 O75460 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 1/20 0.35

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
SCHEMBL25366488 0.89 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHSD17B10CYP3A4
SCHEMBL29361367 0.89 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHSD17B10CYP3A4
SCHEMBL6605094 0.88 KDM4E (0.56) ALDH1A1KDM4ELMNAHSD17B10NQO2
SCHEMBL6839239 0.84 LMNA (0.49) ALDH1A1KDM4ELMNAHSD17B10NQO2
SCHEMBL6839318 0.84 LMNA (0.49) ALDH1A1KDM4ELMNAHSD17B10NQO2
SCHEMBL8175292 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAHSD17B10NQO2
SCHEMBL5201253 0.77 CUL4A (0.40) ALDH1A1KDM4ELMNAHSD17B10MEN1
SCHEMBL8175307 0.76 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAHSD17B10NQO2
SCHEMBL5203052 0.76 KDM4E (0.37) ALDH1A1KDM4ELMNAHSD17B10ERN1
SCHEMBL15988845 0.75 KDM4E (0.66) ALDH1A1KDM4ELMNAHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US claimed
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 EP claimed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 US claimed
CN-112041296-B Aminoacetamides containing benzooxy alicyclic structures and uses thereof 上海璃道医药科技有限公司 2023-12-29 CN disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
EP-3323821-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc (US) 2018-05-23 EP disclosed
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 EP disclosed
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 EP disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 US disclosed
EP-2917219-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc. (US) 2015-09-16 EP disclosed
WO-2014072881-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2014-05-15 WO disclosed
WO-2014072881-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2014-05-15 WO disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 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 (5 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 ALDH1A1 323/4885KDM4E 3975/4885LMNA 1848/4885
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 ALDH1A1 2144/4885KDM4E 3804/4885LMNA 3882/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 ALDH1A1 1063/4885KDM4E 4759/4885LMNA 4191/4885
US-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 ALDH1A1 232/4885KDM4E 444/4885LMNA 4242/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 ALDH1A1 3584/4885KDM4E 4598/4885LMNA 3637/4885

“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.