SCHEMBL20556591

SCHEMBL20556591

CCCCOCCOc1ccc(Br)c(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.44
▸ RARA P10276 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLCO1B3 Q9NPD5 1/20 0.41
▸ SLCO1B1 Q9Y6L6 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ NPC1 O15118 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
SCHEMBL26635479 0.92 THRA (0.45) TSHRMEN1ALDH1A1CYP3A4KMT2A
SCHEMBL26635301 0.87 THRA (0.51) TSHRTHRATHRBLTA4HNR5A1
SCHEMBL26635406 0.87 THRA (0.51) TSHRTHRATHRBLTA4HNR5A1
SCHEMBL17825436 0.85 CA12 (0.43) MAPK1MEN1LMNAKMT2ATHRA
SCHEMBL6516509 0.78 RARB (0.57) RARBRARATSHRMAPK1SMN1; SMN2
SCHEMBL6322208 0.78 NQO1 (0.50) TSHRMEN1ALDH1A1CYP3A4KMT2A
SCHEMBL10629620 0.77 RARB (0.64) RARBRARATSHRMAPK1SMN1; SMN2
SCHEMBL26586960 0.77 THRA (0.33) MAPK1SMN1; SMN2KDM4ETDP1THRA
SCHEMBL4183614 0.76 RARB (0.55) RARBRARATSHRMAPK1SMN1; SMN2
SCHEMBL10763867 0.76 NPC1 (0.42) MAPK1SMN1; SMN2KDM4ETDP1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2018-11-15 — — US claimed
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2018-11-15 — — 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-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 RARB 2241/4885RARA 2415/4885TSHR 3282/4885

“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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