SCHEMBL104772

SCHEMBL104772

O=[C]c1cccc([C]=O)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
KCNH2 Q12809 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL95210 0.87 TSHR (0.42) CYP3A4TSHRMEN1ALDH1A1KMT2A
SCHEMBL2053017 0.83 TSHR (0.38) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL8098752 0.83 JAK2 (0.31)
SCHEMBL2045858 0.83 CES2 (0.34) ALDH1A1
SCHEMBL103338 0.81
SCHEMBL4758532 0.78 LMNA (0.40) CYP3A4TSHRALDH1A1KMT2ACYP1A2
SCHEMBL6210902 0.78 CA12 (0.41) CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL11393405 0.78 CYP2A6 (0.45) ALDH1A1TDP1CYP1A2CYP2A6
SCHEMBL2515771 0.78 P2RX7 (0.44)
SCHEMBL5222485 0.76 TDP1 (0.47) TSHRMEN1ALDH1A1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371616-B2 Laminate and production method thereof KONICA MINOLTA HOLDINGS, INC. (JP) 2016-06-21 US disclosed
EP-2426102-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 US disclosed
US-20100173146-A1 LAMINATE AND PRODUCTION METHOD THEREOF KONICA MINOLTA HOLDINGS, INC. (JP) 2010-07-08 US disclosed
US-5801230-A Polyfunctional azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1998-09-01 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-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING NISCH, DDT, CUL1 CYP3A4 494/4885TSHR 82/4885MEN1 1575/4885

“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.