Sugi Predict

Sugi Predict / Compounds / SCHEMBL5846689

SCHEMBL5846689

SCHEMBL5846689

Oc1ccc(CC(O)n2nc3ccccc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ESR1 P03372 5/20 0.39
▸ ESR2 Q92731 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.37
▸ GRIN2D O15399 2/20 0.37
▸ GRIN3B O60391 2/20 0.37
▸ ADRA1D P25100 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37

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
SCHEMBL1264013 0.74 ESR1 (0.44) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL6699747 0.72 LMNA (0.39) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL25426967 0.69 ESR1 (0.39) TAAR1SLC6A2ESR1ESR2ALDH1A1
SCHEMBL7196551 0.68 ESR1 (0.42) TAAR1SLC6A2ESR1ESR2KMT2A
SCHEMBL30349722 0.67 TRPV1 (0.53) TAAR1SLC6A2ESR1ESR2CYP1A2
SCHEMBL149709 0.67 TRPV1 (0.53) TAAR1SLC6A2ESR1ESR2CYP1A2
SCHEMBL1838937 0.66 ESR1 (0.50) TAAR1SLC6A2ESR1ESR2MEN1
SCHEMBL15928032 0.66 TAAR1 (0.56) TAAR1SLC6A2ESR1ESR2MEN1
SCHEMBL450874 0.66 TAAR1 (0.56) TAAR1SLC6A2ESR1ESR2MEN1
SCHEMBL8931393 0.66 TAAR1 (0.62) TAAR1SLC6A2ESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074853-B2 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION (US) 2006-07-11 — — US disclosed
US-6861458-B2 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION (US) 2005-03-01 — — US disclosed
US-20050014951-A1 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION 2005-01-20 — — US disclosed
US-6803395-B2 POLYSILOXANE HAVING THEREON A HYDROPHILIC MOIETY AND A LIGHTFASTNESS MOIETY XEROX CORPORATION 2004-10-12 — — US disclosed
US-20030137570-A1 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION 2003-07-24 — — US disclosed
US-20030133886-A1 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION 2003-07-17 — — US disclosed
US-6569511-B1 Polysiloxane having a hydrophilic moiety and a lightfastness moiety; ink jet coating XEROX CORPORATION 2003-05-27 — — US disclosed
WO-2003029227-A1 ADHESION PROMOTERS CONTAINING BENZOTRIAZOLES NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2003-04-10 — — WO 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-20050014951-A1 Photoprotective and lightfastness-enhancing siloxanes LRRFIP1, LRRC59, MMS19 TAAR1 1555/4885SLC6A2 4523/4885ESR1 422/4885
US-20030133886-A1 Photoprotective and lightfastness-enhancing siloxanes ITGA1, ITGB1, ITGB8 TAAR1 1327/4885SLC6A2 4628/4885ESR1 622/4885

“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.