SCHEMBL416812

SCHEMBL416812

CCCOC(=O)c1ccccc1O.[NaH]

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
TDP1 Q9NUW8 5/20 0.71
TSHR P16473 8/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
CYP3A4 P08684 2/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 1/20 0.59
LMNA P02545 5/20 0.58
HSD17B10 Q99714 2/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
ESR1 P03372 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL31490936 0.98 ALDH1A1 (0.79) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL39575 0.98 ALDH1A1 (0.79) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL27856813 0.96 ALDH1A1 (0.76) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
Alcohol SCHEMBL28094806 0.95 ALDH1A1 (0.73) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
Bicarbonate SCHEMBL21753664 0.95 ALDH1A1 (0.73) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
Bicarbonate SCHEMBL30206837 0.95 ALDH1A1 (0.73) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
Benzene SCHEMBL28044051 0.95 ALDH1A1 (0.73) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
Ethyl Salicylate SCHEMBL27816869 0.93 ALDH1A1 (0.71) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
Methyl Salicylate SCHEMBL9229811 0.92 TSHR (0.71) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
Salicylic Acid SCHEMBL27810342 0.92 ALDH1A1 (0.69) ALDH1A1TDP1TSHRL3MBTL1CYP3A4

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 677 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041216-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD (GB) 2025-02-06 US claimed
CN-116098978-B Chinese medicinal cream for treating psoriasis and preparation method thereof 北京斯利安药业有限公司 2024-07-19 CN claimed
US-11969503-B2 Methotrexate composition ROSEMONT PHARMACEUTICALS LTD (GB) 2024-04-30 US claimed
CN-114762655-B Oral cavity efficient nursing composition and preparation method and application thereof 广州赛葆力医疗器械有限公司 2024-04-02 CN claimed
CN-117065037-A Pharmaceutical compositions comprising S1P modulators 诺华股份有限公司 2023-11-17 CN claimed
CN-116942606-A Preparation method of lamotrigine suspension and dry suspension 上海奥科达医药科技股份有限公司 2023-10-27 CN claimed
US-20230233464-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD (GB) 2023-07-27 US claimed
CN-116399980-A Method for detecting preservative in protein iron succinate oral solution 江苏慧聚药业股份有限公司 2023-07-07 CN claimed
CN-116098978-A Chinese medicinal cream for treating psoriasis and preparation method thereof 北京斯利安药业有限公司 2023-05-12 CN claimed
CN-114948868-B Crystal form of lamotrigine hydrate, preparation method thereof and composition containing crystal form 上海奥科达医药科技股份有限公司 2023-04-14 CN claimed
CN-1561989-A Soybean aglycone soft capsule and its preparing method SHAO AIXIA (CN) 2005-01-12 CN claimed
CN-1528290-A Andrographolide soft capsule and preparing method thereof 西安千禾药业有限责任公司 2004-09-15 CN claimed
CN-1460019-A Improved injectable dispersions of propofol SKEY MEDICINE CANADA INC (CA) 2003-12-03 CN claimed
CN-1430965-A Soft capsule of puerarin and preparing method thereof CHENG SHOUHUI (CN) 2003-07-23 CN claimed
US-20030130267-A1 Pharmaceutical composition SPECIAL PRODUCTS LIMITED 2003-07-10 US claimed
EP-1323422-A1 Pharmaceutical composition comprising midazolam for buccal administration Special Products Limited (GB) 2003-07-02 EP claimed
CN-1069520-C Breviscapine soft capsule and its production method KUNMING PHARMACEUTICAL CO LTD (CN) 2001-08-15 CN claimed
CN-1069519-C Bulleyaconitine A soft capsule and its production method KUNMING PHARMACEUTICAL CO LTD (CN) 2001-08-15 CN claimed
CN-1228958-A Bulleyaconitine A soft capsule and its production method KUNMING PHARMACEUTICAL CO LTD (CN) 1999-09-22 CN claimed
CN-1228959-A Breviscapine soft capsule and its production method KUNMING PHARMACEUTICAL CO LTD (CN) 1999-09-22 CN claimed

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-20030130267-A1 Pharmaceutical composition CYP3A5, CYP3A7, CYP3A43 ALDH1A1 1169/4885TDP1 3323/4885TSHR 3224/4885

“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.