SCHEMBL1699233

SCHEMBL1699233

Cc1cc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.53
▸ CCR1 P32246 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ COMT P21964 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ MAPK14 Q16539 3/20 0.31
▸ PKM P14618 1/20 0.30

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
SCHEMBL10272096 0.85 CYP3A4 (0.49) CYP3A4CCR1CCR8PKM
SCHEMBL15099580 0.84 CYP3A4 (0.54) CYP3A4SMN1; SMN2CREBBPMAPK14
SCHEMBL1701636 0.84 CYP3A4 (0.54) CYP3A4CCR1CCR8CREBBPMAPK14
SCHEMBL1699718 0.83 CYP3A4 (0.62) CYP3A4CCR1CCR8CREBBPMAPK14
SCHEMBL1699715 0.83 CYP3A4 (0.62) CYP3A4CCR1CCR8CREBBPMAPK14
SCHEMBL10272189 0.80 CYP3A4 (0.56) CYP3A4MAPTMAPK1L3MBTL1RAB9A
SCHEMBL1699255 0.80 CYP3A4 (0.62) CYP3A4MAPK14
SCHEMBL1699611 0.79 CYP3A4 (0.51) CYP3A4PDE4DPKM
SCHEMBL16381382 0.79 CYP3A4 (0.61) CYP3A4MAPK14
SCHEMBL15165108 0.79 CYP3A4 (0.70) CYP3A4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 — — EP disclosed
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 — — EP disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 — — US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 — — US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 — — US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 — — EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 — — WO disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 — — 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 (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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 CYP3A4 2058/4885CCR1 1473/4885CCR8 3577/4885

“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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