SCHEMBL606994

SCHEMBL606994

CC(C)(C)c1ccc(-c2ccc3c(c(N)cc4c5ccccc5c(N)cc34)c2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.38
▸ S1PR1 P21453 1/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DGAT1 O75907 2/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL28834708 0.85 S1PR1 (0.42) HPRT1GPR84S1PR1NPC1RAB9A
SCHEMBL29906499 0.82 HPRT1 (0.40) HPRT1NPC1RAB9ATP53LMNA
SCHEMBL2119505 0.82 HPRT1 (0.40) HPRT1LMNAKIF11ALDH1A1KMT2A
SCHEMBL1697684 0.79 HPRT1 (0.40) HPRT1ALDH1A1
SCHEMBL27979828 0.78 DGAT1 (0.40) GPR84S1PR1NPC1RAB9ATP53
SCHEMBL3633230 0.77 HPRT1 (0.41) HPRT1LMNAALDH1A1KMT2AMAPT
SCHEMBL28595835 0.75 S1PR1 (0.46) GPR84S1PR1NPC1RAB9ATP53
SCHEMBL15651453 0.74 GPR84 (0.35) GPR84S1PR1NPC1RAB9ATP53
SCHEMBL27277247 0.73 KIF11 (0.42) HPRT1GPR84S1PR1NPC1RAB9A
SCHEMBL29906501 0.73 ABCG2 (0.42) GPR84KMT2AMAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120037898-A1 CHRYSENE COMPOUNDS FOR LUMINESCENT APPLICATIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-16 — — US disclosed
US-20110215715-A1 CHRYSENE COMPOUNDS FOR BLUE OR GREEN LUMINESCENT APPLICATIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-08 — — 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-20110215715-A1 CHRYSENE COMPOUNDS FOR BLUE OR GREEN LUMINESCENT APPLICATIONS CRY2, CRY1, CYBA HPRT1 929/4885GPR84 3935/4885S1PR1 4803/4885
US-20120037898-A1 CHRYSENE COMPOUNDS FOR LUMINESCENT APPLICATIONS CRY2, CENPE, CRY1 HPRT1 1278/4885GPR84 4487/4885S1PR1 4743/4885

“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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