SCHEMBL22848360

SCHEMBL22848360

O=C(NCCS)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
NAAA Q02083 1/20 0.60
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2C9 P11712 1/20 0.58
MAPT P10636 1/20 0.57
EPHX2 P34913 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MPO P05164 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.55
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL9339173 0.88 MAPT (0.69) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL12308200 0.86 HDAC1 (0.58) RAB9ACYP1A2MEN1KMT2AALDH1A1
SCHEMBL3513622 0.82 RAB9A (0.62) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL65822 0.82 RAB9A (0.62) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL16469025 0.82 NAAA (0.83) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL6359135 0.81 NAAA (0.75) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL4439302 0.81 CYP1A2 (0.62) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL27600705 0.80 NAMPT (0.65) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL12308254 0.80 HDAC3 (0.53) RAB9ACYP1A2EPHX2SMN1; SMN2ALDH1A1
SCHEMBL3122604 0.80 HDAC3 (0.73) RAB9ANAAAEPHX2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363620-A1 AN ISOMERIZATION PROCESS OF PRODUCT OBTAINED FROM BISPHENOL PREPARATION FROM A CONDENSATION REACTION OF KETONE AND PHENOL PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2022-11-17 US disclosed
WO-2020263195-A2 AN ISOMERIZATION PROCESS OF PRODUCT OBTAINED FROM BISPHENOL PREPARATION FROM A CONDENSATION REACTION OF KETONE AND PHENOL PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2020-12-30 WO 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-20220363620-A1 AN ISOMERIZATION PROCESS OF PRODUCT OBTAINED FROM BISPHENOL PREPARATION FROM A CONDENSATION REACTION OF KETONE AND PHENOL RCC1, AKR1C4, ELL RAB9A 4613/4885NAAA 3156/4885CYP1A2 979/4885

“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.