Aniline

Aniline

SCHEMBL21145016

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PBRM1 Q86U86 1/20 0.45
AKR1C3 P42330 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1B1 Q16678 1/20 0.39

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 SCHEMBL28008359 0.92 TSHR (0.61) TSHRCES2CES1PBRM1AKR1C3
Aniline SCHEMBL7175507 0.89 TSHR (0.65) TSHRCES2CES1PBRM1AKR1C3
Aniline SCHEMBL25370313 0.89 TSHR (0.65) TSHRCES2CES1PBRM1AKR1C3
Aniline SCHEMBL1956601 0.89 TSHR (0.65) TSHRCES2CES1PBRM1AKR1C3
Aniline SCHEMBL30678504 0.89 TSHR (0.65) TSHRCES2CES1PBRM1AKR1C3
Aniline SCHEMBL28431695 0.86 TSHR (0.61) TSHRCES2CES1PBRM1AKR1C3
Aniline SCHEMBL27330317 0.86 TSHR (0.61) TSHRCES2CES1PBRM1ALDH1A1
Aniline SCHEMBL27756614 0.86 TSHR (0.61) TSHRCES2CES1PBRM1AKR1C3
Aniline SCHEMBL27815330 0.86 TSHR (0.61) TSHRCES2CES1PBRM1AKR1C3
Aniline SCHEMBL27419313 0.86 TSHR (0.61) TSHRCES2CES1PBRM1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 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 3146/4885CES2 3526/4885CES1 4191/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK TSHR 1850/4885CES2 3782/4885CES1 4085/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA TSHR 3345/4885CES2 3487/4885CES1 4745/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 TSHR 2235/4885CES2 3443/4885CES1 4581/4885

“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.