SCHEMBL26048878

SCHEMBL26048878

Cc1ccc(CO)cc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
SLC22A12 Q96S37 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
SLC6A4 P31645 1/20 0.38
ROCK2 O75116 2/20 0.38

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
SCHEMBL8303063 0.87 PKM (0.44) TSHRSLC22A12TTRCYP1A2CYP2C8
SCHEMBL17129606 0.86 TSHR (0.41) TSHRSLC22A12CYP4F2CYP4A11TTR
SCHEMBL3080203 0.84 TSHR (0.44) TSHRSLC22A12CYP4F2CYP4A11TTR
SCHEMBL2356192 0.83 HTT (0.48) TSHRSLC22A12CYP4F2CYP4A11ALDH1A1
SCHEMBL516010 0.81 TSHR (0.64) TSHRTTRCYP1A2CYP2C8CHRM1
SCHEMBL28734148 0.80 POLB (0.56) TTRPPARAKCNH2TMEM97SIGMAR1
SCHEMBL7997662 0.80 TUBB1 (0.55) KCNH2TMEM97SIGMAR1ALDH1A1NPC1
SCHEMBL334082 0.80 SLC22A12 (0.40) TSHRSLC22A12CYP4F2CYP4A11TTR
SCHEMBL697450 0.79 CA2 (0.47) TSHRCYP4F2CYP4A11TTRALDH1A1
SCHEMBL3085575 0.78 TSHR (0.36) TSHRSLC22A12CYP4F2CYP4A11TTR

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-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Apollo Therapeutics Limited (GB) 2023-08-10 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-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 TSHR 2934/4885SLC22A12 4651/4885CYP4F2 3754/4885

“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.