SCHEMBL17835017

SCHEMBL17835017

CC(C)Oc1cc(Nc2cccc(-c3cccc(-c4ccccc4)c3)c2)cc(OC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ SYK P43405 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ AR P10275 1/20 0.40
▸ MAPT P10636 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
SCHEMBL21442815 0.91 SYK (0.42) RXRARXRBCNR1SYKMEN1
SCHEMBL18872971 0.78 ALDH1A1 (0.58) CNR1SYKMEN1KMT2ATSHR
SCHEMBL25912532 0.78 ALDH1A1 (0.64) CNR1SYKMEN1KMT2ATSHR
SCHEMBL16716786 0.76 ALDH1A1 (0.68) CNR1SYKMEN1KMT2ATSHR
SCHEMBL29501296 0.76 ALDH1A1 (0.67) SYKMEN1KMT2ATSHRPOLB
SCHEMBL3181560 0.76 ALDH1A1 (0.67) SYKMEN1KMT2ATSHRPOLB
SCHEMBL20067339 0.76 MEN1 (0.60) MEN1KMT2ATSHRADORA3POLB
SCHEMBL21234631 0.75 ALDH1A1 (0.67) CNR1SYKMEN1KMT2ATSHR
SCHEMBL8469211 0.75 RXRA (0.72) RXRARXRBCNR1MEN1KMT2A
SCHEMBL21234538 0.74 ALDH1A1 (0.65) SYKMEN1KMT2ATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683453-B2 Organic compounds with soluble groups MERCK PATENT GMBH (DE) 2020-06-16 — — US disclosed
EP-3230403-B1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS MERCK PATENT GMBH (DE) 2019-10-09 — — EP disclosed
US-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS UDC IRELAND LIMITED (IE) 2017-12-28 — — US disclosed
WO-2016091353-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS MERCK PATENT GMBH (DE) 2016-06-16 — — 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-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS SLCO4C1, SLCO1B3, SLCO2B1 RXRA 373/4885RXRB 406/4885CNR1 1626/4885
US-10683453-B2 Organic compounds with soluble groups SLCO4C1, SLCO1B3, SLCO2B1 RXRA 373/4885RXRB 406/4885CNR1 1626/4885

“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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