SCHEMBL4968554

SCHEMBL4968554

COC(=O)CCN1C(=O)C(C(C)C)Oc2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
KMO O15229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
THRB P10828 3/20 0.40
USP2 O75604 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4970171 0.91 TSHR (0.39) TSHRMAPTHTTALOX15HSD17B10
SCHEMBL4968334 0.88 KDM4C (0.54) TSHRHTTALDH1A1KDM4CCYP3A4
SCHEMBL4968226 0.88 KMO (0.56) TSHRMAPTHTTALOX15HSD17B10
SCHEMBL4970321 0.85 MEN1 (0.50) TSHRHSD17B10ALDH1A1LMNAKDM4C
SCHEMBL4969050 0.85 KDM4C (0.41) ALDH1A1KDM4CCYP3A4CYP2C19POLB
SCHEMBL4968565 0.84 KDM4C (0.41) MAPTALDH1A1LMNAKDM4CCYP3A4
SCHEMBL4969540 0.84 SIRT2 (0.38) TSHRMAPTHTTKDM4CCYP3A4
SCHEMBL4969213 0.84 SIRT2 (0.38) TSHRMAPTHTTKDM4CCYP3A4
SCHEMBL4969216 0.84 SIRT2 (0.38) TSHRMAPTHTTKDM4CCYP3A4
SCHEMBL4970236 0.83 KMT2A (0.40) MAPTHTTALDH1A1KDM4CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 TSHR 4003/4885MAPT 387/4885HTT 772/4885

“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.