Water

Water

SCHEMBL4389571

[OH-].c1ccc2c([P+](c3cccc4ccccc34)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Water. 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
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 5/20 0.48
CYP2A6 P11509 3/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 5/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 3/20 0.44
CYP3A4 P08684 2/20 0.44
KEAP1 Q14145 1/20 0.44
HPRT1 P00492 1/20 0.43
HIF1A Q16665 1/20 0.40
CYP1B1 Q16678 1/20 0.40
THRB P10828 1/20 0.40
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37

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
Hydrochloric Acid SCHEMBL7872912 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Iodide SCHEMBL11122555 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Bromide SCHEMBL7877244 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7877233 0.90 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Water SCHEMBL4387932 0.86 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenol SCHEMBL7877192 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7873049 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4389367 0.83 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL819648 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Iodide SCHEMBL10656345 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925513-A Bio-based polycarbonate compound and preparation method thereof 中国石油天然气股份有限公司 2020-11-13 CN claimed
US-6316575-B1 MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 2001-11-13 US claimed
US-12540218-B2 Polycarbonate/polyorganosiloxane copolymer and resin composition including said copolymer IDEMITSU KOSAN CO., LTD. (JP) 2026-02-03 US disclosed
US-20250368777-A1 POLYCARBONATE-POLYORGANOSILOXANE COPOLYMER IDEMITSU KOSAN CO.,LTD. (JP) 2025-12-04 US disclosed
US-12398237-B2 Polycarbonate/polyorganosiloxane copolymer and resin composition including said copolymer IDEMITSU KOSAN CO., LTD. (JP) 2025-08-26 US disclosed
US-12384881-B2 Polycarbonate/polyorganosiloxane copolymer and resin composition including said copolymer IDEMITSU KOSAN CO., LTD. (JP) 2025-08-12 US disclosed
EP-4556507-A1 POLYCARBONATE-POLYORGANOSILOXANE COPOLYMER, POLYCARBONATE RESIN COMPOSITION AND MOLDED BODY Idemitsu Kosan Co.,Ltd. (JP) 2025-05-21 EP disclosed
EP-4538311-A1 POLYCARBONATE-POLYORGANOSILOXANE COPOLYMER Idemitsu Kosan Co.,Ltd. (JP) 2025-04-16 EP disclosed
CN-119522247-A Polycarbonate-polyorganosiloxane copolymer, polycarbonate resin composition, and molded article 出光兴产株式会社 2025-02-25 CN disclosed
CN-119343393-A Polycarbonate-polyorgano Silicone copolymer 出光兴产株式会社 2025-01-21 CN disclosed
CN-114746474-B Polycarbonate-polyorganosiloxane copolymer and resin composition containing the same 出光兴产株式会社 2024-11-22 CN disclosed
EP-1048684-A1 PROCESS FOR PRODUCING POLYCARBONATE AND OPTICAL-DISK SUBSTRATE Idemitsu Petrochemical Co., Ltd. (JP) 2000-11-02 EP disclosed
EP-1035150-A1 COPOLYCARBONATE AND PROCESS FOR PRODUCING THE SAME IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-09-13 EP disclosed
EP-1033381-A1 PROCESS FOR PRODUCING POLYCARBONATE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-09-06 EP disclosed
US-5942594-A AROMATIC POLYCARBONATE CONTAINS IN SMALL AMOUNT, THE UNIT OF PHENYL SALICYLATE STRUCTURE IN MAIN CHAIN, EXHIBITS EXCELLENT FLUIDITY AND MOISTURE RESISTANCE IDEMITSU KOSAN CO., LTD. (JP) 1999-08-24 US disclosed
US-5922826-A TRANSESTERIFICATION IN PRESENCE OF A POLYMERIZATION CATALYST CONTAINING AN ORGANONITROGEN COMPOUND AND A QUATERNARY PHOSPHONIUM SALT TO PRODUCE POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 1999-07-13 US disclosed
EP-0908484-A1 PROCESSES FOR THE PRODUCTION OF POLYCARBONATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1999-04-14 EP disclosed
EP-0890944-A1 DIGITAL VIDEO DISK SUBSTRATE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1999-01-13 EP disclosed
EP-0852242-A1 POLYCARBONATE AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-07-08 EP disclosed
EP-0807657-A1 PROCESS FOR PRODUCING POLYCARBONATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-11-19 EP 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-12540218-B2 Polycarbonate/polyorganosiloxane copolymer and resin composition including said copolymer COL1A1, MACF1, HAO2 ALDH1A1 974/4885HSD17B10 1227/4885CYP2A6 1300/4885

“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.