SCHEMBL2608364

SCHEMBL2608364

CCCCOC(=O)c1cc(C=O)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
APP P05067 2/20 0.52
ESR1 P03372 3/20 0.51
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2612584 0.91 L3MBTL1 (0.53) TSHRTDP1L3MBTL1APPESR1
SCHEMBL7535754 0.88 TSHR (0.61) TSHRTDP1L3MBTL1APPESR1
SCHEMBL2608353 0.86 L3MBTL1 (0.46) TSHRTDP1L3MBTL1APPESR1
SCHEMBL4755004 0.85 CA12 (0.66) TSHRTDP1CYP3A4ALDH1A1CA12
SCHEMBL10642265 0.84 TSHR (0.53) TSHRTDP1L3MBTL1APPESR1
SCHEMBL7537944 0.83 TSHR (0.55) TSHRTDP1L3MBTL1ESR1TP53
SCHEMBL3063884 0.82 CA12 (0.71) TSHRTDP1L3MBTL1ESR1TP53
SCHEMBL30456970 0.82 CA12 (0.71) TSHRTDP1L3MBTL1ESR1TP53
SCHEMBL13779469 0.82 TSHR (0.60) TSHRTDP1L3MBTL1ESR1TP53
SCHEMBL17301990 0.82 CA12 (0.43) TDP1L3MBTL1APPALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017089894-A1 CONJUGATES COMPRISING PEPTIDE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 WO disclosed
WO-2017089895-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 WO disclosed
WO-2017089890-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 WO disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 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-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885TDP1 3187/4885L3MBTL1 248/4885

“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.