Aniline

Aniline

SCHEMBL8520890

Nc1ccccc1.Nc1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Aniline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
PBRM1 Q86U86 1/20 0.50
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAPT P10636 5/20 0.46
CYP2C19 P33261 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
CYP1B1 Q16678 1/20 0.43
ALDH1A1 P00352 4/20 0.43
DAO P14920 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
ALOX15 P16050 1/20 0.43
CES2 O00748 1/20 0.43

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
Aniline SCHEMBL4894770 1.00 TSHR (0.69) TSHRPBRM1CYP3A4TDP1HSD17B10
Aniline SCHEMBL29429766 1.00 TSHR (0.69) TSHRPBRM1CYP3A4TDP1HSD17B10
Aniline SCHEMBL8413315 0.90 TSHR (0.73) TSHRPBRM1CYP3A4TDP1HSD17B10
Aniline SCHEMBL6049858 0.90 TSHR (0.73) TSHRPBRM1CYP3A4TDP1HSD17B10
Aniline SCHEMBL11591138 0.88 TSHR (0.69) TSHRPBRM1CYP3A4TDP1HSD17B10
Aniline SCHEMBL28972529 0.88 TSHR (0.69) TSHRPBRM1CYP3A4TDP1HSD17B10
Aniline SCHEMBL27917067 0.88 TSHR (0.69) TSHRPBRM1CYP3A4TDP1HSD17B10
Aniline SCHEMBL28806315 0.88 TSHR (0.69) TSHRPBRM1CYP3A4TDP1HSD17B10
Oxalic Acid SCHEMBL6915099 0.87 MAPT (0.57) TSHRCYP3A4TDP1HSD17B10TAAR1
Aniline SCHEMBL22528486 0.87 TSHR (0.92) TSHRPBRM1CYP3A4TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409964-A Modified nano silicon dioxide and application thereof in preparation of PET packing belt 江苏坤腾包装有限公司 2022-04-29 CN disclosed
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
EP-3518878-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION Henkel AG & Co. KGaA (DE) 2019-08-07 EP disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
EP-2716678-B1 SOLID PHASE POLYMERIZATION METHOD FOR PREPARING HIGH MOLECULAR WEIGHT ALIPHATIC POLYESTER NATUREWORKS LLC (US) 2018-04-25 EP disclosed
US-9290616-B2 Solid-phase polymerization method for preparing high-molecular-weight aliphatic polyester TORAY INDUSTRIES, INC. (JP) 2016-03-22 US disclosed
US-20140100350-A1 SOLID-PHASE POLYMERIZATION METHOD FOR PREPARING HIGH-MOLECULAR-WEIGHT ALIPHATIC POLYESTER TORAY INDUSTRIES, INC. (JP) 2014-04-10 US disclosed
US-5948866-A BLEND CONTAINING ADDITION POLYMER DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-09-07 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 (4 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-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 TSHR 3146/4885PBRM1 1487/4885CYP3A4 4811/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK TSHR 1850/4885PBRM1 2736/4885CYP3A4 4841/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA TSHR 3345/4885PBRM1 1573/4885CYP3A4 4837/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 TSHR 2235/4885PBRM1 405/4885CYP3A4 4500/4885

“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.