SCHEMBL16308868

SCHEMBL16308868

C=Cc1cc(C)ccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.40
▸ TP53 P04637 3/20 0.40
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2A6 P11509 3/20 0.35
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ NQO2 P16083 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ ACHE P22303 2/20 0.31
▸ ESR1 P03372 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
SCHEMBL5084622 0.78 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL16955188 0.77 TRPA1 (0.41) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL13106397 0.77 SRC (0.47) TDP1CYP1A2CYP2A6LMNAKDM4E
SCHEMBL29392003 0.76 ALOX5 (0.47) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL87447 0.76 ALOX5 (0.47) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL11037443 0.74 TDP1 (0.41) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL14435665 0.73 — —
SCHEMBL16956615 0.73 ERN1 (0.38) CYP2A6LMNAKDM4EHTTALOX15
SCHEMBL16825589 0.73 NFE2L2 (0.36) CYP1A2CYP2A6ALDH1A1
SCHEMBL11352142 0.73 MAPT (0.53) TDP1TP53LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3761078-A1 GREEN COLORED RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2021-01-06 — — EP disclosed
US-9382279-B2 Copper catalyzed halogenaton and reaction products WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-07-05 — — US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-20140371480-A1 COPPER CATALYZED HALOGENATON AND REACTION PRODUCTS WISCONSIN ALUMNI RESEARCH FOUNDATION 2014-12-18 — — 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-20140371480-A1 COPPER CATALYZED HALOGENATON AND REACTION PRODUCTS AOC3, AOC2, BAZ2A TDP1 4579/4885TP53 4785/4885CYP1A2 195/4885

“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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