SCHEMBL9938385

SCHEMBL9938385

CC(C)N(C(=O)Cc1ccccc1I)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 3/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ P2RX4 Q99571 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL3827620 0.81 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19MAPK8
SCHEMBL11313798 0.79 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL9936831 0.77 GABRA1 (0.38) CYP1A2CYP2D6LMNAALDH1A1
SCHEMBL28647829 0.76 ESR1 (0.41) P2RX7ALDH1A1TP53MEN1KMT2A
SCHEMBL11328977 0.76 POLB (0.49) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL12157433 0.76 KMT2A (0.53) MEN1KMT2A
SCHEMBL5904223 0.75 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL17772628 0.75 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL24723386 0.74 PKM (0.59) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3246425 0.74 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946280-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-02-03 — — US disclosed
US-8946280-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-02-03 — — US disclosed
US-8946280-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-02-03 — — US disclosed
EP-2651890-B1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-10 — — EP disclosed
EP-2651890-B1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-10 — — EP disclosed
US-20130303375-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-14 — — US disclosed
US-20130303375-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-14 — — US disclosed
US-20130303375-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-14 — — US disclosed
EP-2651890-A1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2013-10-23 — — EP disclosed
WO-2012080115-A1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 — — WO disclosed
WO-2012080115-A1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 — — WO 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-20130303375-A1 PLANT GROWTH REGULATING COMPOUNDS AREG, GHITM, FGF1 CYP1A2 3926/4885CYP2D6 4735/4885CYP2C9 4507/4885

“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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