SCHEMBL2809874

SCHEMBL2809874

O=C(O)c1nn2ccccc2c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MIF P14174 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
PDE4B Q07343 2/20 0.49
MEN1 O00255 1/20 0.49
PDE5A O76074 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
PDE4A P27815 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL31305749 0.84 PDE5A (0.68) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL4175500 0.84 ELANE (0.48) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL27075517 0.82 ALDH1A1 (0.49) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL30661128 0.81 MIF (0.48) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL15897066 0.81 MIF (0.48) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL16764938 0.81 MIF (0.48) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL951965 0.81 MEN1 (0.51) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL4917094 0.81 HTR2A (0.45) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL12686677 0.81 SPR (0.45) ALDH1A1MIFCYP2C9TSHRPDE4B
SCHEMBL4917986 0.81 HTR2A (0.44) ALDH1A1MIFCYP2C9TSHRPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
EP-4204100-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE L'OREAL (FR) 2023-07-05 EP disclosed
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN disclosed
US-11559474-B2 Hair lightening compositions and methods of use L'OREAL (FR) 2023-01-24 US disclosed
WO-2022047081-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE HENRY DEREK (US) 2022-03-03 WO disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US disclosed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US disclosed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US disclosed
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION L'OREAL (FR) 2009-01-29 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-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS CUTA, SUCLG1, KRT18 ALDH1A1 1901/4885MIF 3280/4885CYP2C9 2540/4885
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION CUTA, SYMPK, TPRKB ALDH1A1 4765/4885MIF 4885/4885CYP2C9 4541/4885
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT ACMSD, CUTA, PCCA ALDH1A1 1510/4885MIF 3933/4885CYP2C9 431/4885
US-11559474-B2 Hair lightening compositions and methods of use TYR, ALAD, CYBA ALDH1A1 448/4885MIF 4885/4885CYP2C9 2635/4885

“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.