SCHEMBL21134114

SCHEMBL21134114

COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OC)cc5)cc4F)c4nsnc34)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ RPS6KA3 P51812 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ APP P05067 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ ABCB1 P08183 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ NT5E P21589 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19456624 0.92 CYP11B1 (0.40) CYP11B1CYP11B2RPS6KA3PDK2APP
SCHEMBL25070289 0.90 HSD17B1 (0.47) CYP11B1CYP11B2CYP2C19NPC1RAB9A
SCHEMBL19636766 0.89 RARA (0.45) CYP11B1CYP11B2CYP2C19POLBL3MBTL1
SCHEMBL19682268 0.89 APP (0.41) CYP11B1CYP11B2RPS6KA3PDK2APP
SCHEMBL19456617 0.88 GABRA1 (0.42) CYP11B1CYP11B2PDK2POLBL3MBTL1
SCHEMBL21537510 0.83 PDE3B (0.38) CYP11B1CYP11B2RPS6KA3PDK2L3MBTL1
SCHEMBL22022025 0.82 APP (0.45) RPS6KA3APPCYP2C19ABCB1ABL1
SCHEMBL16265191 0.82 RARB (0.48) CYP2C19POLBNPC1RAB9ASMN1; SMN2
SCHEMBL14515087 0.81 DHODH (0.42) CYP11B1CYP11B2PDK2L3MBTL1NPC1
SCHEMBL22238933 0.80 CASP3 (0.41) APPCYP2C19L3MBTL1MAPK1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
EP-3458549-B1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-07-22 — — EP disclosed
EP-3400271-B1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2020-07-22 — — EP disclosed
EP-3400270-B1 DEVICE FOR REGULATING ENTRY OF LIGHT MERCK PATENT GMBH (DE) 2020-04-29 — — EP disclosed
US-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound MERCK PATENT GMBH (DE) 2019-07-09 — — 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-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound CRY1, SLC25A1, CRY2 CYP11B1 499/4885CYP11B2 329/4885RPS6KA3 4427/4885

“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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