SCHEMBL17428877

SCHEMBL17428877

CC1=C(Cc2ccccc2)C=C(CO)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CALM1 P0DP23 1/20 0.37
LMNA P02545 1/20 0.33
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LTA4H P09960 1/20 0.32
IDH1 O75874 4/20 0.31
NOS2 P35228 1/20 0.31
TRPA1 O75762 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL8092858 0.84 TP53 (0.40) CALM1LMNAMAPTLTA4HHTR2C
SCHEMBL1028381 0.67 CALM1 (0.42) TSHRCALM1LMNABCL2BCL2L1
SCHEMBL8093021 0.67 TP53 (0.40) TSHRCALM1LMNAMAPTLTA4H
SCHEMBL2352229 0.66 CALM1 (0.52) TSHRCALM1LMNABCL2BCL2L1
SCHEMBL8086770 0.63 TP53 (0.40) TSHRCALM1LMNAMAPTLTA4H
Diphenylmethane SCHEMBL4761999 0.63 CALM1 (0.71) TSHRCALM1LMNABCL2BCL2L1
Diphenylmethane SCHEMBL10394702 0.62 CALM1 (0.92) TSHRCALM1LMNABCL2BCL2L1
Benzyl Alcohol SCHEMBL8962470 0.61 TSHR (0.78) TSHRCALM1TDP1ALDH1A1LTA4H
SCHEMBL2288601 0.61 TSHR (0.78) TSHRCALM1LMNABCL2BCL2L1
Benzyl Alcohol SCHEMBL1674457 0.61 TSHR (0.78) TSHRCALM1LMNATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 US disclosed
US-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-05 US disclosed
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-14 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-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 TSHR 3687/4885CALM1 4512/4885LMNA 2130/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 TSHR 3687/4885CALM1 4512/4885LMNA 2130/4885
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 TSHR 3687/4885CALM1 4512/4885LMNA 2130/4885
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 TSHR 3687/4885CALM1 4512/4885LMNA 2130/4885

“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.