SCHEMBL18948477

SCHEMBL18948477

Cc1cc(P)cc(C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 3/20 0.31
FABP5 Q01469 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
SCHEMBL25547481 0.84 GABRA1 (0.37) HTTALDH1A1LMNAGABRA1GABRB2
SCHEMBL26345761 0.84 GABRA1 (0.37) HTTALDH1A1LMNAGABRA1GABRB2
Boric Acid SCHEMBL28918370 0.82 GABRA1 (0.32) ALDH1A1GABRA1GABRB2TRPA1PTGS1
SCHEMBL599485 0.81 ALDH1A1 (0.42) HTTALDH1A1LMNAGABRA1GABRB2
SCHEMBL3363012 0.81 LMNA (0.40) HTTALDH1A1LMNAGABRA1GABRB2
Hydrogen Peroxide SCHEMBL11210753 0.76 FABP3 (0.44) HTTALDH1A1LMNAGABRA1GABRB2
Hydrogen Peroxide SCHEMBL11574286 0.76 FABP3 (0.44) HTTALDH1A1LMNAGABRA1GABRB2
SCHEMBL5044874 0.74
SCHEMBL13871115 0.74
SCHEMBL21882586 0.73 GABRA1 (0.31) HTTALDH1A1GABRA1GABRB2FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-20210052561-A1 TARGETING ASPARTATE BETA-HYDROXYLASE SUPPRESSES TUMOR MALIGNANCY AND METASTASIS MIDWESTERN UNIVERSITY 2021-02-25 US disclosed
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof PFIZER INC. (US) 2019-03-12 US disclosed
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-06-21 US disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 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 (5 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-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof RORC, RORB, RORA HTT 3718/4885ALDH1A1 1091/4885LMNA 3808/4885
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA HTT 4216/4885ALDH1A1 715/4885LMNA 4059/4885
US-20210052561-A1 TARGETING ASPARTATE BETA-HYDROXYLASE SUPPRESSES TUMOR MALIGNANCY AND METASTASIS ASPH, GOT1, FOLH1 HTT 2852/4885ALDH1A1 35/4885LMNA 4443/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HTT 4049/4885ALDH1A1 649/4885LMNA 3182/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTT 4049/4885ALDH1A1 649/4885LMNA 3182/4885

“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.