SCHEMBL891024

SCHEMBL891024

Cc1sc2ccccc2c1C1=C(c2c(C)sc3ccccc23)C[Si](C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ PLA2G10 O15496 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP1A1 P04798 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 3/20 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
SCHEMBL5054625 0.79 GPR3 (0.41) GPR3PLA2G10CYP1A2CYP2D6TSHR
SCHEMBL14522095 0.72 PLA2G10 (0.36) GPR3PLA2G10CYP1A2CYP2D6TSHR
SCHEMBL12624661 0.72 GPR3 (0.46) GPR3PLA2G10ALDH1A1MEN1KMT2A
SCHEMBL891066 0.70 HPGD (0.41) GPR3PLA2G10CYP1A2CYP2D6TSHR
SCHEMBL15395405 0.69 PLA2G10 (0.34) GPR3PLA2G10CYP1A2CYP2D6TSHR
SCHEMBL6257244 0.69 PLA2G10 (0.36) GPR3PLA2G10CYP1A2CYP2D6TSHR
SCHEMBL18752601 0.67 MIF (0.51) GPR3PLA2G10CYP1A2CYP2D6TSHR
SCHEMBL13477890 0.67 PTPN1 (0.42) GPR3PLA2G10ALDH1A1HPGDMAPT
SCHEMBL13477891 0.67 DHFR (0.45) GPR3PLA2G10HSD17B10ALDH1A1ALOX15
SCHEMBL1535958 0.67 ALDH1A1 (0.44) GPR3PLA2G10CYP1A2CYP2D6TSHR

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-8722076-B2 Photochrome- or near IR dye-coupled polymeric matrices for medical articles SURMODICS, INC. (US) 2014-05-13 — — US disclosed
US-20120082713-A1 PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES BANK OF MONTREAL, AS COLLATERAL AGENT 2012-04-05 — — 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-20120082713-A1 PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES IK, PIR, PLOD1 GPR3 2994/4885PLA2G10 2771/4885CYP1A2 1587/4885

“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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