SCHEMBL25529014

SCHEMBL25529014

CCCCCCCCOC(=O)[C@H](Cc1ccccc1)NC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MMP2 P08253 9/20 0.49
MMP1 P03956 4/20 0.49
MMP3 P08254 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL12705747 1.00 TSHR (0.50) TSHRLMNAALDH1A1MMP2MMP1
SCHEMBL23541614 0.99 TSHR (0.49) TSHRLMNAALDH1A1MMP2MMP1
SCHEMBL807262 0.94 TSHR (0.50) TSHRALDH1A1MMP2MMP1MMP3
SCHEMBL27948430 0.89 TSHR (0.50) TSHRLMNAALDH1A1MMP2MMP1
SCHEMBL807265 0.88 POLB (0.51) TSHRLMNAALDH1A1RAB9APOLB
SCHEMBL18202478 0.88 POLB (0.51) TSHRLMNAALDH1A1RAB9APOLB
SCHEMBL11676190 0.86 TACR1 (0.58) ALDH1A1POLB
SCHEMBL28848015 0.86 BCHE (0.48) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL11676193 0.86 TACR1 (0.58) ALDH1A1POLB
SCHEMBL13960042 0.86 TACR1 (0.58) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151049-A1 Compounds Useful in HIV Therapy VIIV HEALTHCARE COMPANY (US) 2023-05-18 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-20230151049-A1 Compounds Useful in HIV Therapy CCR5, CD4, NPC1 TSHR 4863/4885LMNA 2405/4885ALDH1A1 359/4885

“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.