SCHEMBL4951220

SCHEMBL4951220

O=C1CCC2C3C=CC(C3)C12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 4/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL14284261 0.88 ALDH1A1 (0.39) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL2038990 0.88 ALDH1A1 (0.39) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL15203373 0.79 ALDH1A1 (0.50) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL12952456 0.77 ALDH1A1 (0.45) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL12216989 0.77 ALDH1A1 (0.45) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL4339639 0.74 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL14159804 0.72 POLB (0.35) TDP1KMT2ARECQLL3MBTL1POLB
SCHEMBL9409642 0.72 POLB (0.35) TDP1KMT2ARECQLL3MBTL1POLB
SCHEMBL3813245 0.71 CA1 (0.39) TDP1KMT2ARECQLL3MBTL1POLB
SCHEMBL22078932 0.70 CA1 (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9206093-A None JP disclosed
JP-5058977-A None JP disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 US disclosed
EP-4206182-A1 ESTER COMPOUND Mitsui Chemicals, Inc. (JP) 2023-07-05 EP disclosed
US-7470499-B2 Alicyclic unsaturated compound, polymer, chemically amplified resist composition and method for forming pattern using said composition NEC CORPORATION (JP) 2008-12-30 US disclosed
US-20060073408-A1 Alicyclic unsaturated compound, polymer, chemically amplified resist composition and method for forming pattern using said composition NEC CORPORATION (JP) 2006-04-06 US disclosed
JP-H09206093-A PRODUCTION OF OPTICALLY ACTIVE DICYCLOPENTADIENE DERIVATIVE CHISSO CORP 1997-08-12 JP disclosed
JP-H0558977-A NOVEL INTERMEDIATE COMPOUND FOR PRODUCING INDOLEALKALOID DERIVATIVE KAWAKEN FINE CHEM CO LTD 1993-03-09 JP 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-20240025838-A1 ESTER COMPOUND NR1H3, CYP4A11, H1-4 ALDH1A1 650/4885TDP1 4445/4885RAB9A 2100/4885

“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.