SCHEMBL19042790

SCHEMBL19042790

CCCCn1c(C)c(C2=C(c3c(C)sc4ccccc34)C(F)(F)C(F)(F)C2(F)F)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.39
▸ CNR1 P21554 4/20 0.39
▸ PGR P06401 2/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ ABCC2 Q92887 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL3847894 0.83 PLA2G10 (0.36) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL29492999 0.79 GPR3 (0.39) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL392860 0.79 GPR3 (0.39) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL19047375 0.73 KDM4E (0.35) CNR2CNR1ALDH1A1KDM4ELMNA
SCHEMBL19042795 0.73 KDM4E (0.36) CNR2CNR1ALDH1A1KDM4ELMNA
SCHEMBL9618084 0.69 PLA2G10 (0.33) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9147831 0.68 CNR2 (0.41) CNR2CNR1PGRRORARORC
SCHEMBL14399684 0.68 IMPDH2 (0.40) ALDH1A1KDM4ELMNAHPGDRAB9A
SCHEMBL29673705 0.67 CNR2 (0.53) CNR2CNR1SLC6A3
SCHEMBL28763406 0.67 KDM4E (0.63) CNR2CNR1ALDH1A1KDM4ESLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013669-B2 Dental materials with light-induced reversible coloring IVOCLAR VIVADENT AG (LI) 2021-05-25 — — US disclosed
WO-2017108456-A1 DENTAL MATERIALS HAVING A LIGHT-INDUCED REVERSIBLE COLORING IVOCLAR VIVADENT AG (LI) 2017-06-29 — — WO disclosed
EP-3184096-A1 DENTAL MATERIALS WITH LIGHT-INDUCED REVERSIBLE COLOURING Ivoclar Vivadent AG (LI) 2017-06-28 — — EP 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-11013669-B2 Dental materials with light-induced reversible coloring CRY1, IK, MAP1LC3A CNR2 4427/4885CNR1 3951/4885PGR 1671/4885

“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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