SCHEMBL17169595

SCHEMBL17169595

Cc1cc(C(C)C)ncc1N1c2ccccc2N(c2c(C(C)C)cccc2C(C)C)[C@H]1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ ATP4A P20648 1/20 0.31
▸ ATP4B P51164 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ MGLL Q99685 1/20 0.30

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
SCHEMBL17169562 0.91 ALDH1A1 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL17169637 0.89 SLC6A2 (0.34) ALDH1A1ALOX15TSHRHSP90AA1HSP90AB1
SCHEMBL17169563 0.86 ALDH1A1 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL17169636 0.84 ALDH1A1 (0.34) ALDH1A1ALOX15TSHRHSP90AA1HSP90AB1
SCHEMBL17169567 0.82 BRD4 (0.31) —
SCHEMBL24631896 0.80 ALDH1A1 (0.40) ALDH1A1ALOX15TSHRHSP90AA1HSP90AB1
SCHEMBL17169593 0.80 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRHSP90AA1HSP90AB1
SCHEMBL17169550 0.79 ALDH1A1 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL18088240 0.78 ALOX15 (0.34) ALDH1A1ALOX15TSHRHSP90AA1HSP90AB1
SCHEMBL17169566 0.77 HTR2A (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9911928-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 — — US disclosed
US-9911928-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 — — US disclosed
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 — — US disclosed
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 — — US disclosed
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 — — US disclosed
US-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 — — US disclosed
US-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 — — 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-20160276603-A1 Organic Electroluminescent Materials and Devices EML4, BICRA, TBCB ALDH1A1 889/4885ALOX15 4280/4885TSHR 3389/4885

“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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