SCHEMBL4185898

SCHEMBL4185898

CCCOCCOc1ccc(C(C)CN2CCC/C(C(=O)O)=C\c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CCR5 P51681 7/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
NLRP1 Q9C000 1/20 0.39
CCR2 P41597 2/20 0.39
CCR7 P32248 1/20 0.39
CCR3 P51677 1/20 0.37
CCR4 P51679 1/20 0.37
RARB P10826 1/20 0.37
HSP90AB1 P08238 2/20 0.37
JAK2 O60674 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL3459699 0.80 CCR5 (0.56) MAPTALDH1A1POLBHPGDTSHR
SCHEMBL3459703 0.80 CCR5 (0.56) MAPTALDH1A1POLBHPGDTSHR
SCHEMBL3458969 0.76 CCR5 (0.56) MAPTALDH1A1CCR5LMNACCR2
SCHEMBL3458968 0.76 CCR5 (0.56) MAPTALDH1A1CCR5LMNACCR2
SCHEMBL3163971 0.76 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3163964 0.76 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL17870841 0.76 PIK3CD (0.42) ALDH1A1LMNAKDM4EGAA
SCHEMBL17870863 0.76 PIK3CD (0.42) ALDH1A1LMNAKDM4EGAA
SCHEMBL19746550 0.75 CCR5 (0.45) MAPTALDH1A1POLBHPGDTSHR
SCHEMBL5655515 0.75 CCR5 (0.55) CCR5CCR2CCR7CCR3CCR4

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-8362058-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2013-01-29 US disclosed
US-20090030032-A1 Bicyclic Compound, Production and Use Thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2009-01-29 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-20090030032-A1 Bicyclic Compound, Production and Use Thereof CCR5, CCR1, CCR2 MAPT 4695/4885ALDH1A1 2749/4885POLB 3023/4885

“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.