SCHEMBL21134084

SCHEMBL21134084

CC(F)(F)Oc1ccc2cc(-c3ccc(-c4ccc5cc(OC(C)(F)F)ccc5c4)c4nsnc34)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.36
▸ CYP11B1 P15538 6/20 0.34
▸ CYP11B2 P19099 6/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ ALOX5AP P20292 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
SCHEMBL16265321 0.83 AKR1C3 (0.36) GSTP1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL711834 0.80 GSTP1 (0.57) GSTP1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL21134077 0.76 APP (0.40) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL18464128 0.76 GABBR2 (0.30) —
SCHEMBL20806198 0.74 ESR1 (0.37) CYP1A2HSD17B1HSD17B2ALOX5APFEN1
SCHEMBL18464809 0.73 CYP1A2 (0.46) GSTP1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL24270298 0.73 GSTP1 (0.52) GSTP1CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL22300013 0.71 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2NPC1RAB9A
SCHEMBL17694325 0.71 PTPN11 (0.45) CYP3A4CYP2D6
SCHEMBL25070289 0.70 HSD17B1 (0.47) GSTP1CYP11B1CYP11B2CYP1A2CYP3A4

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-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US 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 GSTP1 1419/4885CYP11B1 499/4885CYP11B2 329/4885

“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.

Send feedback