SCHEMBL9799085

SCHEMBL9799085

COC(=O)c1ccc(OCCCCl)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MGLL Q99685 1/20 0.52
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 3/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TTR P02766 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44

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
SCHEMBL12493216 0.88 ALDH1A1 (0.54) TDP1L3MBTL1MGLLKDM4ETP53
SCHEMBL6507828 0.88 TDP1 (0.52) TDP1L3MBTL1MGLLKDM4ETP53
SCHEMBL14926458 0.87 MGLL (0.64) TDP1L3MBTL1MGLLALDH1A1THRA
SCHEMBL10102465 0.87 CA12 (0.50) TDP1L3MBTL1KDM4ETP53ALOX15
SCHEMBL25314236 0.86 TDP1 (0.57) TDP1L3MBTL1MGLLKDM4EALDH1A1
SCHEMBL17991554 0.86 MGLL (0.56) TDP1L3MBTL1MGLLKDM4EALDH1A1
SCHEMBL12492829 0.86 ALDH1A1 (0.55) TDP1L3MBTL1MGLLKDM4EALDH1A1
SCHEMBL14926460 0.85 MGLL (0.67) TDP1L3MBTL1MGLLALDH1A1THRA
SCHEMBL15731867 0.85 MGLL (0.67) TDP1L3MBTL1MGLLALDH1A1THRA
SCHEMBL30962311 0.85 TDP1 (0.52) TDP1L3MBTL1MGLLKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-05-17 US disclosed
US-9877970-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9827248-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-9353122-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-5061720-A ANTIINFLAMMATORY AGENTS FOR TOPICAL APPLICATION TO SKIN A. H. ROBINS COMPANY, INC. (US) 1991-10-29 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 (4 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-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TDP1 4450/4885L3MBTL1 4717/4885MGLL 1642/4885
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TDP1 4450/4885L3MBTL1 4717/4885MGLL 1642/4885
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TDP1 4450/4885L3MBTL1 4717/4885MGLL 1642/4885
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TDP1 4450/4885L3MBTL1 4717/4885MGLL 1642/4885

“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.