SCHEMBL5166263

SCHEMBL5166263

CCCCOc1ccc(C(=O)OCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TSHR P16473 3/20 0.62
LMNA P02545 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
ESR1 P03372 2/20 0.62
CYP2D6 P10635 1/20 0.62
MAPK1 P28482 1/20 0.62
NR1H2 P55055 1/20 0.62
RNASEL Q05823 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 3/20 0.61
KMT2A Q03164 1/20 0.61
KCNH2 Q12809 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
TBXAS1 P24557 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL5218267 0.97 TSHR (0.66) TDP1L3MBTL1TSHRLMNACYP1A2
Benzene SCHEMBL27936904 0.97 TDP1 (0.67) TDP1L3MBTL1TSHRLMNACYP1A2
SCHEMBL9636880 0.95 TP53 (0.69) TDP1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL5219438 0.95 TP53 (0.69) TDP1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL11126885 0.95 TP53 (0.69) TDP1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL7342399 0.95 KCNH2 (0.67) TDP1L3MBTL1TSHRLMNACYP1A2
SCHEMBL5215164 0.95 TP53 (0.69) TDP1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL5215917 0.95 TP53 (0.69) TDP1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL14672532 0.95 TP53 (0.69) TDP1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL12948055 0.95 TDP1 (0.61) TDP1L3MBTL1TSHRLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4404341-A TITANIUM SOLID, ORGANOALUMINUM COMPOUND MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-09-13 US claimed
US-9682594-B2 Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same THE PILOT INK CO., LTD. (JP) 2017-06-20 US disclosed
US-20170050460-A1 THERMOCHROMIC COLOR-MEMORY COMPOSITION AND THERMOCHROMIC COLOR-MEMORY MICROCAPSULE PIGMENT ENCAPSULATING SAME THE PILOT INK CO., LTD. (JP) 2017-02-23 US disclosed
EP-1249471-B1 Polypropylene-based resins and polypropylene-based resin compositions PRIME POLYMER CO LTD (JP) 2013-06-26 EP disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-06-19 US disclosed
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-06-19 US disclosed
US-7355051-B2 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2008-04-08 US disclosed
US-7355051-B2 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2008-04-08 US disclosed
EP-1472215-A4 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-05-09 EP disclosed
US-4229558-A HAVING HIGH ISOTACTIC INDEX BY USING A CATALYST PREPARED FROM A MAGNESIUM GRIGNARD REAGENT, TITANIUM HALIDE AN ETHER AND A CARBOXYLIC ESTER COMBINED WITH AN ORGANOALUMINUM COMPOUND MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1980-10-21 US disclosed
US-4226741-A ORGANOALUMINUM COMPOUND, LEWIS BASE, HALOGENATED MAGNESIUM COMPOUND, AND A TITANIUM COMPOUND MONTEDISON S.P.A. (IT) 1980-10-07 US disclosed
EP-0015099-A1 Catalyst and process for producing olefin polymers or copolymers MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1980-09-03 EP disclosed
US-4187196-A REACTING HALOGENATED TITANIUM COMPOUND WITH MAGNESIUM OR MANGANESE DIHALIDE MONTEDISON S.P.A. (IT) 1980-02-05 US disclosed
US-4156063-A USING A CATALYST CONTAINING THE REACTION PRODUCT OF AN ALUMINUM COMPOUND AND AN ESTER WITH A SUPPORT CONTAINING THE REACTION PRODUCT OF A TITANIUM COMPOUND AND A MAGNESIUM OR MANGANESE BIHALIDE Montecanti Edison, S.p.A. (IT) 1979-05-22 US disclosed
US-4149990-A Components of catalysts useful for the polymerization of α-olefins, and catalysts prepared therefrom MONTEDISON S.P.A. (IT) 1979-04-17 US disclosed
US-4136165-A SUNSCREEN AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-01-23 US disclosed
US-4115319-A COMPOUNDS CONTAINING MAGNESIUM, TITANIUM, AND HALOGEN MONTEDISON S.P.A. (IT) 1978-09-19 US disclosed
US-4107415-A Process for the stereospecific polymerization of alpha-olefins MONTECATINI EDISON S.P.A. (IT) 1978-08-15 US disclosed
US-4107414-A Process for the stereoregular polymerization of alpha olefins MONTECATINI EDISON S.P.A. (IT) 1978-08-15 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 (1 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-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION NQO2, NOX3, NOX1 TDP1 3986/4885L3MBTL1 1050/4885TSHR 1679/4885

“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.