SCHEMBL2522149

SCHEMBL2522149

CC(C)(CO)c1ccccc1C(C)(C)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 1/20 0.40
TAAR1 Q96RJ0 2/20 0.37
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.32
SLC6A2 P23975 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
ALOX12 P18054 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
SCHEMBL3157499 0.85 ALDH1A1 (0.60) TSHRALDH1A1TDP1CA2GABRA1
SCHEMBL872872 0.85 GABRA1 (0.43) TSHRALDH1A1TDP1CA2GABRA1
SCHEMBL17051291 0.85 ALDH1A1 (0.38) TSHRALDH1A1TDP1CA2TAAR1
SCHEMBL12317693 0.84 CA2 (0.37) TSHRALDH1A1TDP1CA2TAAR1
SCHEMBL5925963 0.84 HTR2A (0.41) TSHRALDH1A1TDP1HIF1A
SCHEMBL27658469 0.84 TSHR (0.37) TSHRALDH1A1TDP1CA2TAAR1
SCHEMBL2139453 0.84 KCNN4 (0.39) TSHRALDH1A1TDP1CA2RIPK1
SCHEMBL7449086 0.84 TSHR (0.37) TSHRALDH1A1TDP1CA2TAAR1
SCHEMBL9743499 0.82 CA2 (0.41) TSHRALDH1A1TDP1CA2GABRA1
SCHEMBL18525388 0.82 CA2 (0.41) TSHRALDH1A1TDP1CA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841479-B2 Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors EVONIK DEGUSSA GMBH (DE) 2014-09-23 US disclosed
US-20110251424-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2011-10-13 US disclosed
US-4069052-A Color photographic materials with spiro heterocyclic stabilizing agents comprising 2-imidazolidine-4',5'-dione rings AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) 1978-01-17 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-20110251424-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS CYP1B1, HCFC1, DIMT1 TSHR 4848/4885ALDH1A1 245/4885TDP1 282/4885

“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.