SCHEMBL4532036

SCHEMBL4532036

C=CC[CH]c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP2A6 P11509 1/20 0.56
CYP3A4 P08684 3/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX12 P18054 2/20 0.55
ALOX15 P16050 1/20 0.55
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TRPA1 O75762 1/20 0.47
RELA Q04206 1/20 0.47
CYP1A2 P05177 3/20 0.45
CYP1A1 P04798 3/20 0.45

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
SCHEMBL1004990 0.79 ALDH1A1 (0.62) ALDH1A1CYP2A6CYP3A4TP53TSHR
SCHEMBL6194298 0.79 NQO1 (0.56) ALDH1A1TP53TSHRSMN1; SMN2RELA
SCHEMBL7711464 0.77 ALDH1A1 (0.54) ALDH1A1CYP2A6CYP3A4TP53TSHR
SCHEMBL28436 0.77 ALDH1A1 (0.58) ALDH1A1CYP2A6CYP3A4TP53TSHR
SCHEMBL678625 0.77 ALDH1A1 (0.58) ALDH1A1CYP2A6CYP3A4TP53TSHR
SCHEMBL6159256 0.76 CHRM5 (0.55) CYP3A4RELACYP1A2CYP1A1CYP1B1
SCHEMBL3184498 0.76 ALDH1A1 (0.58) ALDH1A1CYP2A6CYP3A4TP53TSHR
SCHEMBL1253022 0.76 ALDH1A1 (0.58) ALDH1A1CYP2A6CYP3A4TP53TSHR
SCHEMBL3350071 0.76 ALDH1A1 (0.58) ALDH1A1CYP2A6CYP3A4TP53TSHR
SCHEMBL11568942 0.75 LTA4H (0.48) ALDH1A1TSHRSMN1; SMN2LMNAHPGD

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
US-9526699-B2 Biodegradable and thermosensitive poly(organophosphazene) hydrogel, preparation method thereof and use thereof KIST (KR) 2016-12-27 US disclosed
US-8287888-B2 Thermosensitive polyphosphazene-bioactive molecule conjugates, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-16 US disclosed
US-20090181088-A1 THERMOSENSITIVE POLYPHOSPHAZENE-BIOACTIVE MOLECULE CONJUGATES, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-07-16 US disclosed
US-20090022683-A1 Biodegradable and Thermosensitive Poly(Organophosphazene) Hydrogel, Preparation Method Thereof and Use Thereof KIST (KR) 2009-01-22 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 (2 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-20090022683-A1 Biodegradable and Thermosensitive Poly(Organophosphazene) Hydrogel, Preparation Method Thereof and Use Thereof PHOSPHO1, PGLS, LIPE ALDH1A1 3589/4885CYP2A6 2431/4885CYP3A4 1176/4885
US-20090181088-A1 THERMOSENSITIVE POLYPHOSPHAZENE-BIOACTIVE MOLECULE CONJUGATES, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLK1, PLA2G2C ALDH1A1 3103/4885CYP2A6 1881/4885CYP3A4 1609/4885

“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.