SCHEMBL21133957

SCHEMBL21133957

Cc1cc(I)cc(I)c1OC(=O)C(C)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL21133956 0.92 — —
SCHEMBL21133952 0.82 CYP1A2 (0.31) CYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL18290075 0.75 POLB (0.48) HSD17B10POLBNLRP3TTRTHRA
SCHEMBL27255623 0.75 ELANE (0.39) POLBNLRP3TTR
SCHEMBL21133955 0.74 — —
SCHEMBL24667645 0.74 ALDH1A1 (0.31) —
SCHEMBL25968669 0.73 RIPK1 (0.33) —
SCHEMBL15625163 0.72 NLRP3 (0.35) CYP1A2NLRP3
SCHEMBL21701054 0.71 TTR (0.34) POLBNLRP3TTRTHRATHRB
SCHEMBL26800387 0.70 POLB (0.38) HSD17B10POLBNLRP3TTRTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10347476-B2 Tuned synthetic dendrimer calibrants for mass spectrometry THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2019-07-09 — — 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-10347476-B2 Tuned synthetic dendrimer calibrants for mass spectrometry SRMS, SRM, DNMT1 CYP1A2 3996/4885CYP2C9 3913/4885HIF1A 3765/4885

“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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