SCHEMBL1934505

SCHEMBL1934505

CC1CC(C)(C)Nc2cc(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ PGR P06401 4/20 0.49
▸ AR P10275 4/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 1/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.38
▸ MRGPRX2 Q96LB1 2/20 0.37
▸ CYP19A1 P11511 2/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL8518452 1.00 ALDH1A1 (0.50) ALDH1A1HTTPGRARNR3C1
SCHEMBL14283945 0.87 ALDH1A1 (0.61) ALDH1A1HTTPGRARNR3C1
SCHEMBL29837461 0.81 ALDH1A1 (0.51) ALDH1A1HTTPGRARNR3C1
SCHEMBL6141613 0.81 ALDH1A1 (0.51) ALDH1A1HTTPGRARNR3C1
SCHEMBL11417149 0.80 ALDH1A1 (0.50) ALDH1A1HTTPGRARNR3C1
SCHEMBL6653007 0.80 ALDH1A1 (0.50) ALDH1A1HTTPGRARNR3C1
SCHEMBL30973127 0.80 ALDH1A1 (0.60) ALDH1A1HTTPGRARNR3C1
SCHEMBL31476366 0.79 ALDH1A1 (0.49) ALDH1A1HTTPGRARNR3C1
SCHEMBL8604696 0.78 ALDH1A1 (0.48) ALDH1A1HTTPGRARNR3C1
SCHEMBL31476408 0.78 ALDH1A1 (0.48) ALDH1A1HTTPGRARNR3C1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10684294-B2 Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical THE UNIVERSITY OF HONG KONG (HK) 2020-06-16 — — US disclosed
US-10407436-B2 Carboxamide-substituted xanthene dyes AUDAX PRIVATE DEBT LLC, AS AGENT 2019-09-10 — — US disclosed
US-10407436-B2 Carboxamide-substituted xanthene dyes AUDAX PRIVATE DEBT LLC, AS AGENT 2019-09-10 — — US disclosed
US-10053484-B2 Heterocycle-substituted xanthene dyes BIOTIUM, INC. (US) 2018-08-21 — — US disclosed
US-20170247402-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. 2017-08-31 — — US disclosed
US-9579402-B2 Heterocycle-substituted xanthene dyes BIOTIUM, INC. (US) 2017-02-28 — — US disclosed
US-20160362418-A1 CARBOXAMIDE-SUBSTITUTED XANTHENE DYES AUDAX PRIVATE DEBT LLC, AS AGENT 2016-12-15 — — US disclosed
US-20160362418-A1 CARBOXAMIDE-SUBSTITUTED XANTHENE DYES AUDAX PRIVATE DEBT LLC, AS AGENT 2016-12-15 — — US disclosed
US-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL VERSITECH LIMITED (HK) 2016-10-27 — — US disclosed
US-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL VERSITECH LIMITED (HK) 2016-10-27 — — US disclosed
EP-2393805-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP Biotium Inc. (US) 2011-12-14 — — EP disclosed
US-20110136201-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. (US) 2011-06-09 — — US disclosed
WO-2011068569-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. (US) 2011-06-09 — — WO disclosed
WO-2010091126-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. (US) 2010-08-12 — — WO disclosed
US-20100197030-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. (US) 2010-08-05 — — US disclosed
EP-0966458-B1 SULFONATED XANTHENE DERIVATIVES MOLECULAR PROBES INC (US) 2003-08-13 — — EP disclosed
US-6130101-A FLUORESCENT PROBES FOR USE IN BIOLOGICAL SAMPLES MOLECULAR PROBES, INC. (US) 2000-10-10 — — US disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 — — US disclosed
US-5410053-A A pyrano-diquinoline addition or condensation anionic polymer as the novel xanthene dyes for dyeing polyacrylonitrile fibers ; colorfastness BASF AKTIENGESELLSCHAFT (DE) 1995-04-25 — — US disclosed
EP-0573762-A2 Rhodamine derivatives BASF Aktiengesellschaft (DE) 1993-12-15 — — EP 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 (8 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-20100197030-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP XDH, ARSA, STS ALDH1A1 1449/4885HTT 1324/4885PGR 756/4885
US-20160362418-A1 CARBOXAMIDE-SUBSTITUTED XANTHENE DYES XDH, CYBA, CHAT ALDH1A1 794/4885HTT 1876/4885PGR 2649/4885
US-20170247402-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES XDH, CCKAR, CCKBR ALDH1A1 1142/4885HTT 346/4885PGR 259/4885
US-10407436-B2 Carboxamide-substituted xanthene dyes XDH, CYBA, CHAT ALDH1A1 794/4885HTT 1876/4885PGR 2649/4885
US-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL HAGH, HADH, FECH ALDH1A1 334/4885HTT 394/4885PGR 4540/4885
US-10684294-B2 Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical HAGH, HADH, FECH ALDH1A1 334/4885HTT 394/4885PGR 4540/4885
US-20110136201-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES XDH, CCKAR, CCKBR ALDH1A1 1142/4885HTT 346/4885PGR 259/4885
US-10053484-B2 Heterocycle-substituted xanthene dyes XDH, CCKAR, CCKBR ALDH1A1 1142/4885HTT 346/4885PGR 259/4885

“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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