SCHEMBL22553044

SCHEMBL22553044

CC(=O)C1C(C(=O)c2ccccc2)C(c2ccc(C(=O)O)cc2)C1c1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ DAO P14920 1/20 0.45
▸ NAPRT Q6XQN6 1/20 0.45
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ TRPA1 O75762 1/20 0.41
▸ HDAC4 P56524 4/20 0.40
▸ TP53 P04637 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ EPHX1 P07099 3/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL22570499 1.00 TSHR (0.45) TSHRDAONAPRTCES2CES1
SCHEMBL22570500 1.00 TSHR (0.45) TSHRDAONAPRTCES2CES1
SCHEMBL22570546 1.00 TSHR (0.45) TSHRDAONAPRTCES2CES1
SCHEMBL22570559 1.00 TSHR (0.45) TSHRDAONAPRTCES2CES1
SCHEMBL22570503 0.98 TSHR (0.44) TSHRDAONAPRTCES2CES1
SCHEMBL22570498 0.98 TSHR (0.44) TSHRDAONAPRTCES2CES1
SCHEMBL22553042 0.98 TSHR (0.44) TSHRDAONAPRTCES2CES1
SCHEMBL22570619 0.98 TSHR (0.44) TSHRDAONAPRTCES2CES1
SCHEMBL22570539 0.98 TSHR (0.44) TSHRDAONAPRTCES2CES1
SCHEMBL22553041 0.97 HDAC4 (0.43) TSHRDAONAPRTCES2CES1

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
US-10961178-B2 Cycloaddition reactions using quantum dots NORTHWESTERN UNIVERSITY (US) 2021-03-30 — — US disclosed
US-20200331836-A1 CYCLOADDITION REACTIONS USING QUANTUM DOTS NORTHWESTERN UNIVERSITY 2020-10-22 — — 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 (2 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-20200331836-A1 CYCLOADDITION REACTIONS USING QUANTUM DOTS SYNGR2, SYNJ1, SQLE TSHR 3658/4885DAO 2116/4885NAPRT 1584/4885
US-10961178-B2 Cycloaddition reactions using quantum dots SYNGR2, SYNJ1, SQLE TSHR 3658/4885DAO 2116/4885NAPRT 1584/4885

“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.

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