SCHEMBL6578044

SCHEMBL6578044

Cc1ccc(C(=O)OCCCCOC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
TSHR P16473 3/20 0.59
ESR1 P03372 3/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
MAPK1 P28482 1/20 0.59
NR1H2 P55055 1/20 0.59
RNASEL Q05823 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
PDE4D Q08499 1/20 0.58
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL14984030 0.98 TDP1 (0.62) TDP1TSHRESR1LMNACYP1A2
SCHEMBL6578053 0.98 TDP1 (0.62) TDP1TSHRESR1LMNACYP1A2
SCHEMBL13410610 0.96 TSHR (0.59) TDP1TSHRESR1LMNACYP1A2
SCHEMBL10973582 0.93 ALDH1A1 (0.71) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL14926615 0.93 TDP1 (0.56) TDP1TSHRESR1LMNACYP1A2
SCHEMBL18668923 0.93 TDP1 (0.56) TDP1TSHRESR1LMNACYP1A2
SCHEMBL206554 0.91 TDP1 (0.61) TDP1TSHRESR1LMNACYP1A2
SCHEMBL6057197 0.91 ALDH1A1 (0.73) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL21014718 0.91 NPC1 (0.55) TDP1TSHRESR1LMNACYP1A2
SCHEMBL14926488 0.91 NPC1 (0.55) TDP1TSHRESR1LMNACYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067157-B1 Ink composition for a meltable ink and a method of printing a substrate with such an ink composition OCE TECH BV (NL) 2004-05-06 EP claimed
US-6471758-B1 SINGLE PACKAGE; SOLID AT ROOM TEMPERATURE AND FLUID WHEN HEATED; GELLING AGENT THAT INCREASES VISCOSITY TO FIX INK DROPS; POROUS AND SMOOTH SUBSTRATES; SUITABLE FOR THERMAL AFTERTREATMENT PRINTING OCE TECHNOLOGIES B.V. (NL) 2002-10-29 US claimed
EP-1067157-A1 Ink composition for a meltable ink and a method of printing a substrate with such an ink composition Océ-Technologies B.V. (NL) 2001-01-10 EP claimed
US-11777093-B2 Polymer binder with high peel strength and application thereof in secondary lithium battery QINGDAO INSTITUTE OF BIOENERGY AND BIOPROCESS TECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-03 US disclosed
US-8809432-B2 Reusable print medium and method of manufacturing thereof OCE TECHNOLOGIES B.V. (NL) 2014-08-19 US disclosed
EP-2748246-A1 1,2-ALKYLENE-DI-P-TOLUATES AND -BENZOATES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Invista Technologies S.a r.l. (CH) 2014-07-02 EP disclosed
US-20130137805-A1 REUSABLE PRINT MEDIUM AND METHOD OF MANUFACTURING THEREOF OCE TECHNOLOGIES B.V. (NL) 2013-05-30 US disclosed
WO-2013026916-A1 1,2-ALKYLENE-DI-P-TOLUATES AND -BENZOATES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE INVISTA TECHNOLOGIES S.À.R.L (CH) 2013-02-28 WO disclosed
US-20100063241-A1 HIGH PERFORMANCE POLYASPARTIMIDE RESIN SPIRIT AEROSYSTEMS, INC. (US) 2010-03-11 US disclosed
US-20080188678-A1 Near-infrared-absorbing organic electrochromic materials WANG ZHI YUAN 2008-08-07 US disclosed
US-6471758-B1 SINGLE PACKAGE; SOLID AT ROOM TEMPERATURE AND FLUID WHEN HEATED; GELLING AGENT THAT INCREASES VISCOSITY TO FIX INK DROPS; POROUS AND SMOOTH SUBSTRATES; SUITABLE FOR THERMAL AFTERTREATMENT PRINTING OCE TECHNOLOGIES B.V. (NL) 2002-10-29 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-20080188678-A1 Near-infrared-absorbing organic electrochromic materials VDAC2, VDAC1, VAPA TDP1 2429/4885TSHR 4171/4885ESR1 914/4885

“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.