SCHEMBL1935504

SCHEMBL1935504

CCOC(=O)CCCCCn1ccnc1C=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 11/20 0.45
AMPD2 Q01433 2/20 0.44
EP300 Q09472 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 2/20 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
SCHEMBL5654147 0.95 TNF (0.46) TNF
SCHEMBL4230415 0.89 FPR2 (0.46) TNFALDH1A1
SCHEMBL25425924 0.85 AMPD2 (0.41) TNFAMPD2ALDH1A1TSHRFAAH
SCHEMBL16607297 0.81 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10
SCHEMBL25550060 0.80 TNF (0.45) TNFAMPD2EP300FAAH
SCHEMBL27968084 0.79 TLR8 (0.56) ALDH1A1TDP1FAAH
SCHEMBL27968082 0.79 TLR8 (0.56) ALDH1A1TDP1FAAH
SCHEMBL9535005 0.79 TLR8 (0.56) ALDH1A1TDP1FAAH
SCHEMBL27968081 0.79 TLR8 (0.56) ALDH1A1TDP1FAAH
SCHEMBL11669837 0.79 TLR8 (0.56) ALDH1A1TDP1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170247402-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. 2017-08-31 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-9579402-B2 Heterocycle-substituted xanthene dyes BIOTIUM, INC. (US) 2017-02-28 US disclosed
US-9579402-B2 Heterocycle-substituted xanthene dyes BIOTIUM, INC. (US) 2017-02-28 US disclosed
EP-2507220-B1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM INC (US) 2016-10-05 EP disclosed
EP-2507220-B1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM INC (US) 2016-10-05 EP disclosed
EP-2507220-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES Biotium Inc. (US) 2012-10-10 EP disclosed
WO-2011068569-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. (US) 2011-06-09 WO 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
US-20110136201-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. (US) 2011-06-09 US disclosed
US-20110136201-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. (US) 2011-06-09 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 (3 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-20170247402-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES XDH, CCKAR, CCKBR TNF 926/4885AMPD2 2479/4885EP300 3441/4885
US-20110136201-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES XDH, CCKAR, CCKBR TNF 926/4885AMPD2 2479/4885EP300 3441/4885
US-10053484-B2 Heterocycle-substituted xanthene dyes XDH, CCKAR, CCKBR TNF 926/4885AMPD2 2479/4885EP300 3441/4885

“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.