SCHEMBL2196872

SCHEMBL2196872

C=Cc1ccccc1OCC(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
S1PR4 O95977 1/20 0.52
ITGA4 P13612 1/20 0.52
S1PR1 P21453 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TLR9 Q9NR96 1/20 0.52
PPARD Q03181 1/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL406835 0.84 CYP1A2 (0.56) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL365813 0.81 ELANE (0.54) ALDH1A1L3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL21381324 0.80 TDP1 (0.57) ALDH1A1L3MBTL1TDP1MAPTSMN1; SMN2
Dimethylamine SCHEMBL4372531 0.79 CYP1A2 (0.51) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL924662 0.79 CYP1A2 (0.50) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL11783230 0.79 PTGDR2 (0.60) USP2ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL20213835 0.78 KMT2A (0.57) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL7540395 0.78 KMT2A (0.51) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL5562266 0.78 KMT2A (0.51) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL2097272 0.78 KMT2A (0.51) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253735-B1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2021-03-31 EP disclosed
US-20180009775-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2018-01-11 US disclosed
WO-2016124493-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2016-08-11 WO disclosed
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-07-14 US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1769286-A2 OXIME DERIVATIVES AND THE USE THEROF AS LATENT ACIDS Ciba Specialty Chemicals Holding Inc. (CH) 2007-04-04 EP disclosed
WO-2006008250-A2 OXIME DERIVATIVES AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-26 WO disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20180009775-A1 LATENT ACIDS AND THEIR USE LTA, C1S, C9 USP2 3388/4885ALDH1A1 217/4885L3MBTL1 187/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 USP2 3459/4885ALDH1A1 2989/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 USP2 2242/4885ALDH1A1 1071/4885L3MBTL1 2776/4885
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS NR2E3, HCAR3, HRH4 USP2 2924/4885ALDH1A1 1482/4885L3MBTL1 206/4885

“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.