SCHEMBL17694325

SCHEMBL17694325

CCCCCCCCOc1ccc2cc(-c3ccc(-c4ccc5cc(OCCCCCCCC)ccc5c4)c4nsnc34)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.45
▸ PDK2 Q15119 2/20 0.42
▸ THRA P10827 1/20 0.42
▸ NR5A1 Q13285 1/20 0.41
▸ RARB P10826 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL21537508 0.95 CYP11B1 (0.43) PTPN11PDK2THRACYP3A4CYP2D6
SCHEMBL22454346 0.88 NR5A1 (0.50) PTPN11NR5A1RARBTSHRCYP3A4
SCHEMBL2676039 0.88 NR5A1 (0.50) PTPN11NR5A1RARBTSHRCYP3A4
SCHEMBL22300013 0.87 CYP11B1 (0.45) PDK2CA12CA1CA2CA4
SCHEMBL4754947 0.84 NR5A1 (0.46) PTPN11NR5A1RARBTSHRCYP3A4
SCHEMBL17696654 0.84 RARA (0.40) PTPN11PDK2RARBCA12CA1
SCHEMBL19637351 0.81 PDK2 (0.45) PTPN11PDK2CYP3A4CYP2D6
SCHEMBL17186624 0.81 HTR2A (0.44) PTPN11NR5A1RARBTSHRCYP3A4
SCHEMBL17694326 0.78 BDKRB2 (0.40) RARB
SCHEMBL6853043 0.78 RARB (0.58) PTPN11THRANR5A1RARBTSHR

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-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
US-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND MERCK PATENT GMBH (DE) 2016-04-21 — — 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-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND CRY1, SLC25A1, CRY2 PTPN11 4584/4885PDK2 62/4885THRA 3174/4885

“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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