SCHEMBL14613142

SCHEMBL14613142

NCCOC(=O)c1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TPMT P51580 1/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL14613091 0.89 TDP1 (0.52) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL14613138 0.87 TDP1 (0.55) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL11854031 0.82 TDP1 (0.52) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL24305508 0.81 ESR1 (0.46) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL29083864 0.81 ESR1 (0.46) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL10488203 0.81 ALDH1A1 (0.70) TSHRLMNACYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL11852642 0.81 LMNA (0.64) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL28142738 0.81 KMT2A (0.49) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL14369815 0.81 TDP1 (0.53) TSHRLMNACYP1A2CYP2C19CYP3A4
SCHEMBL1449565 0.80 TDP1 (0.70) TSHRLMNATDP1ALDH1A1ESR1

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-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-22 — — 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 (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-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis NOS1, NOS2, F12 TSHR 3095/4885LMNA 1916/4885CYP1A2 363/4885

“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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