SCHEMBL10174562

SCHEMBL10174562

CCc1ccc(C(=O)OCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ ESR1 P03372 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ LMNA P02545 5/20 0.52
▸ CYP1A2 P05177 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ RNASEL Q05823 1/20 0.51
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ MEN1 O00255 2/20 0.48

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
SCHEMBL26378 0.88 TDP1 (0.56) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL24793774 0.87 TSHR (0.54) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL18668799 0.87 TSHR (0.56) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL11593251 0.86 CA1 (0.66) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL12092864 0.86 ALDH1A1 (0.72) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL10952527 0.86 ALDH1A1 (0.72) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL19634298 0.86 SMN1; SMN2 (0.50) TSHRALDH1A1ESR1TDP1CHRM1
Acetone SCHEMBL28904622 0.86 TSHR (0.55) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL13292517 0.86 TDP1 (0.54) TSHRALDH1A1ESR1TDP1CHRM1
Lithium SCHEMBL30805733 0.86 TDP1 (0.54) TSHRALDH1A1ESR1TDP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203579-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 — — US disclosed
US-20220396834-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-12-15 — — US disclosed
US-20220154271-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2022-05-19 — — US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 — — 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 (2 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 TSHR 3638/4885ALDH1A1 867/4885ESR1 434/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TSHR 3680/4885ALDH1A1 875/4885ESR1 609/4885

“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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