SCHEMBL4969042

SCHEMBL4969042

COC(=O)CCN1C(=O)COc2c(C(C)C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.42
TSHR P16473 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.40
MAPT P10636 1/20 0.40
CHRM1 P11229 1/20 0.40
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4970803 0.88 ALOX12 (0.47) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL4973366 0.87 KMO (0.49) HSD17B10POLBALDH1A1TSHRMEN1
SCHEMBL4971237 0.80 TSHR (0.50) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL4101938 0.79 DRD2 (0.41) HSD17B10POLBALOX12CHRM1
SCHEMBL4968218 0.79 POLB (0.38) POLBALDH1A1MEN1KMT2ATP53
SCHEMBL4969582 0.79 ALOX12 (0.42) ALDH1A1TSHRMEN1KMT2AALOX12
SCHEMBL4973945 0.78 RAB9A (0.40) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL4972716 0.77 RAB9A (0.41) HSD17B10ALDH1A1TSHRTP53MAPT
SCHEMBL7736480 0.76 ALDH1A1 (0.41) HSD17B10POLBALDH1A1TSHRMEN1
SCHEMBL4972236 0.75 RAB9A (0.38) ALDH1A1MEN1KMT2ATP53MAPT

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 HSD17B10 380/4885POLB 4733/4885ALDH1A1 142/4885

“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.